
 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide

 46 48  0  0  0  0  0  0  0  0999 V2000
   -0.3559   -1.0985    0.7987 C   0  0  0  0  0
    0.9239   -1.1431    1.4828 N   0  0  0  0  0
    1.9348   -1.9366    0.9967 C   0  0  0  0  0
    3.1570   -1.9965    1.5948 C   0  0  0  0  0
    3.4877   -1.2361    2.7503 C   0  0  0  0  0
    4.5871   -1.2747    3.2939 O   0  0  0  0  0
    2.4304   -0.4359    3.1999 N   0  0  0  0  0
    1.1496   -0.3668    2.6201 C   0  0  0  0  0
    0.2656    0.3501    3.0996 O   0  0  0  0  0
    2.6955    0.3641    4.3799 C   0  0  0  0  0
    3.8799   -2.8802    0.8373 N   0  0  0  0  0
    3.0619   -3.2765   -0.1923 C   0  0  0  0  0
    1.8665   -2.7282   -0.1071 N   0  0  0  0  0
    5.2696   -3.2516    1.0298 C   0  0  0  0  0
    5.5893   -4.6487    0.5539 C   0  0  0  0  0
    5.9792   -4.8755   -0.5935 O   0  0  0  0  0
    5.4223   -5.6833    1.4399 N   0  0  0  0  0
    4.8950   -5.5188    2.6853 N   0  0  0  0  0
    4.8881   -6.6018    3.3989 C   0  0  0  0  0
    4.3383   -6.6636    4.7657 C   0  0  0  0  0
    4.5265   -7.8431    5.4911 C   0  0  0  0  0
    4.0221   -7.9695    6.7890 C   0  0  0  0  0
    3.2853   -6.9133    7.3365 C   0  0  0  0  0
    3.1007   -5.7285    6.6128 C   0  0  0  0  0
    3.6352   -5.5981    5.3274 C   0  0  0  0  0
    2.7083   -7.0279    8.5700 O   0  0  0  0  0
    4.2879   -9.1849    7.3595 O   0  0  0  0  0
    4.3757   -9.2151    8.7789 C   0  0  0  0  0
   -1.0867   -0.4920    1.3401 H   0  0  0  0  0
   -0.7498   -2.1150    0.7013 H   0  0  0  0  0
   -0.2096   -0.6645   -0.1956 H   0  0  0  0  0
    1.9007    1.0834    4.5908 H   0  0  0  0  0
    3.6363    0.9091    4.2493 H   0  0  0  0  0
    2.8041   -0.3091    5.2367 H   0  0  0  0  0
    3.3809   -3.9561   -0.9744 H   0  0  0  0  0
    5.5363   -3.1472    2.0833 H   0  0  0  0  0
    5.8727   -2.5362    0.4592 H   0  0  0  0  0
    5.6492   -6.6115    1.0953 H   0  0  0  0  0
    5.3092   -7.5464    3.0066 H   0  0  0  0  0
    5.0775   -8.6768    5.0626 H   0  0  0  0  0
    2.5383   -4.8989    7.0327 H   0  0  0  0  0
    3.4854   -4.6762    4.7702 H   0  0  0  0  0
    2.1105   -6.2762    8.7149 H   0  0  0  0  0
    4.9241  -10.1222    9.0533 H   0  0  0  0  0
    3.3813   -9.2900    9.2276 H   0  0  0  0  0
    4.9369   -8.3622    9.1757 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  3 13  1  0  0  0
  3  4  2  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 41  1  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
 27 28  1  0  0  0
 28 44  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
M  END

>  <Chemical Name>
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide

>  <PubChem CID>
135641876

>  <Formula>
C17H18N6O5

>  <Molecular Weight>
386.368000

>  <IUPAC Name>
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

>  <XlogP>
0.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC(=C(C=C3)O)OC

>  <Isomeric SMILES>
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N/N=C/C3=CC(=C(C=C3)O)OC

>  <InChI Std. ID>
InChI=1S/C17H18N6O5/c1-21-15-14(16(26)22(2)17(21)27)23(9-18-15)8-13(25)20-19-7-10-4-5-11(24)12(6-10)28-3/h4-7,9,24H,8H2,1-3H3,(H,20,25)/b19-7+

>  <InChI Key>
ALUYWDYRWYPVTP-FBCYGCLPSA-N

