
 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.6427   -0.9908   -0.1688 C   0  0  0  0  0
    2.5808    0.0634    0.7858 O   0  0  0  0  0
    3.2315    1.2197    0.4535 C   0  0  0  0  0
    2.8308    2.3480    1.1721 C   0  0  0  0  0
    3.4003    3.6074    0.9278 C   0  0  0  0  0
    4.4272    3.7441   -0.0387 C   0  0  0  0  0
    4.8138    2.5886   -0.7491 C   0  0  0  0  0
    4.2314    1.3402   -0.5022 C   0  0  0  0  0
    5.0677    5.0558   -0.3739 C   0  0  0  0  0
    6.3453    5.1455   -0.8086 C   0  0  0  0  0
    6.9598    6.4821   -1.2157 C   0  0  0  0  0
    6.0901    7.5946   -0.8552 N   0  0  0  0  0
    4.8198    7.4518   -0.3744 C   0  0  0  0  0
    4.3524    8.6469   -0.1037 N   0  0  0  0  0
    5.3767    9.5278   -0.4022 N   0  0  0  0  0
    6.4548    8.8860   -0.8422 N   0  0  0  0  0
    4.3087    6.2111   -0.2344 N   0  0  0  0  0
    7.2707    6.5015   -2.7062 C   0  0  0  0  0
    8.5942    6.6185   -3.1534 C   0  0  0  0  0
    8.9179    6.6085   -4.5222 C   0  0  0  0  0
    7.8902    6.5072   -5.4750 C   0  0  0  0  0
    6.5668    6.3786   -5.0309 C   0  0  0  0  0
    6.2596    6.3766   -3.6676 C   0  0  0  0  0
    8.2142    6.4960   -6.8055 O   0  0  0  0  0
    7.2130    6.9364   -7.7166 C   0  0  0  0  0
   10.2683    6.7249   -4.7295 O   0  0  0  0  0
   10.7764    6.5381   -6.0413 C   0  0  0  0  0
    3.0063    4.7504    1.5845 O   0  0  0  0  0
    1.9141    4.6540    2.4921 C   0  0  0  0  0
    1.9533   -1.7757    0.1564 H   0  0  0  0  0
    3.6465   -1.4247   -0.2105 H   0  0  0  0  0
    2.3177   -0.6506   -1.1580 H   0  0  0  0  0
    2.0517    2.2096    1.9152 H   0  0  0  0  0
    5.5707    2.6413   -1.5289 H   0  0  0  0  0
    4.5853    0.4871   -1.0710 H   0  0  0  0  0
    6.9911    4.2785   -0.8965 H   0  0  0  0  0
    7.8763    6.6255   -0.6287 H   0  0  0  0  0
    3.4372    6.0938    0.2816 H   0  0  0  0  0
    9.4061    6.7190   -2.4340 H   0  0  0  0  0
    5.7431    6.2630   -5.7283 H   0  0  0  0  0
    5.2171    6.2735   -3.3684 H   0  0  0  0  0
    7.6897    7.0768   -8.6915 H   0  0  0  0  0
    6.7866    7.8982   -7.4111 H   0  0  0  0  0
    6.4336    6.1780   -7.8387 H   0  0  0  0  0
   10.4858    7.3631   -6.6988 H   0  0  0  0  0
   10.4888    5.5635   -6.4486 H   0  0  0  0  0
   11.8691    6.5499   -5.9756 H   0  0  0  0  0
    1.7067    5.6594    2.8714 H   0  0  0  0  0
    2.1696    4.0210    3.3479 H   0  0  0  0  0
    1.0093    4.2985    1.9879 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 11 37  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 26  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 26 27  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
M  END

>  <Chemical Name>
5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

>  <PubChem CID>
662105

>  <Formula>
C20H21N5O4

>  <Molecular Weight>
395.419000

>  <IUPAC Name>
5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=C(C=C1)C2=CC(N3C(=NN=N3)N2)C4=CC(=C(C=C4)OC)OC)OC

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)C2=CC(N3C(=NN=N3)N2)C4=CC(=C(C=C4)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C20H21N5O4/c1-26-13-6-7-14(18(10-13)28-3)15-11-16(25-20(21-15)22-23-24-25)12-5-8-17(27-2)19(9-12)29-4/h5-11,16H,1-4H3,(H,21,22,24)

>  <InChI Key>
AADORYZVGJDNSZ-UHFFFAOYSA-N

