
 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.7118   -2.1378   -1.5867 C   0  0  0  0  0
    3.8726   -3.2536   -2.1418 C   0  0  0  0  0
    4.4950   -4.3995   -2.6598 C   0  0  0  0  0
    3.7367   -5.4265   -3.2225 C   0  0  0  0  0
    2.3510   -5.3117   -3.2923 C   0  0  0  0  0
    1.7199   -4.1698   -2.7980 C   0  0  0  0  0
    2.4720   -3.1494   -2.2035 C   0  0  0  0  0
    1.9134   -1.9671   -1.7681 O   0  0  0  0  0
    0.6874   -1.9973   -1.1215 C   0  0  0  0  0
    0.2970   -3.0846   -0.4153 N   0  0  0  0  0
   -0.8976   -3.0386    0.2027 C   0  0  0  0  0
   -1.7782   -2.0292    0.2209 N   0  0  0  0  0
   -1.3238   -0.9694   -0.4619 C   0  0  0  0  0
   -0.1205   -0.8658   -1.1374 C   0  0  0  0  0
   -0.0748    0.4434   -1.6791 C   0  0  0  0  0
   -1.2580    1.0579   -1.3184 C   0  0  0  0  0
   -2.0220    0.1940   -0.5839 O   0  0  0  0  0
   -1.8190    2.3845   -1.5422 C   0  0  0  0  0
   -0.9775    3.4860   -1.7564 C   0  0  0  0  0
   -1.5099    4.7593   -1.9767 C   0  0  0  0  0
   -2.8902    4.9450   -1.9942 C   0  0  0  0  0
   -3.7390    3.8603   -1.7865 C   0  0  0  0  0
   -3.2062    2.5886   -1.5581 C   0  0  0  0  0
    5.7258   -2.4807   -1.3554 H   0  0  0  0  0
    4.2832   -1.7528   -0.6559 H   0  0  0  0  0
    4.7817   -1.3246   -2.3160 H   0  0  0  0  0
    5.5778   -4.4964   -2.6320 H   0  0  0  0  0
    4.2293   -6.3119   -3.6165 H   0  0  0  0  0
    1.7604   -6.1062   -3.7401 H   0  0  0  0  0
    0.6409   -4.0879   -2.8867 H   0  0  0  0  0
   -1.1830   -3.9315    0.7520 H   0  0  0  0  0
    0.7200    0.8781   -2.2685 H   0  0  0  0  0
    0.1031    3.3692   -1.7386 H   0  0  0  0  0
   -0.8461    5.6059   -2.1314 H   0  0  0  0  0
   -3.3048    5.9347   -2.1672 H   0  0  0  0  0
   -4.8167    4.0009   -1.8007 H   0  0  0  0  0
   -3.8860    1.7532   -1.3997 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 22  1  0  0  0
 21 35  1  0  0  0
 22 23  2  0  0  0
 22 36  1  0  0  0
 23 37  1  0  0  0
M  END

>  <Chemical Name>
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine

>  <PubChem CID>
3825639

>  <Formula>
C19H14N2O2

>  <Molecular Weight>
302.333000

>  <IUPAC Name>
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1OC2=NC=NC3=C2C=C(O3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC=CC=C1OC2=NC=NC3=C2C=C(O3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H14N2O2/c1-13-7-5-6-10-16(13)22-18-15-11-17(14-8-3-2-4-9-14)23-19(15)21-12-20-18/h2-12H,1H3

>  <InChI Key>
ATKPLDDGMIKJMB-UHFFFAOYSA-N

