
 CHEMBL133032

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.3298    0.4195   -0.0406 C   0  0  0  0  0
    2.8021    0.1381   -0.0411 C   0  0  0  0  0
    3.1695   -1.1476    0.1070 N   0  0  0  0  0
    4.5066   -1.3245    0.0743 C   0  0  0  0  0
    5.4062   -0.2869   -0.0815 C   0  0  0  0  0
    4.9817    1.0386   -0.2102 C   0  0  0  0  0
    3.6253    1.2014   -0.2035 N   0  0  0  0  0
    5.8367    2.1520   -0.3706 N   0  0  0  0  0
    6.9003    2.2105    0.6449 C   0  0  0  0  0
    7.8738    3.3476    0.3338 C   0  0  0  0  0
    7.1456    4.6756    0.1712 C   0  0  0  0  0
    6.0590    4.5495   -0.8899 C   0  0  0  0  0
    5.0962    3.4091   -0.5611 C   0  0  0  0  0
    6.6775   -0.7798   -0.0896 O   0  0  0  0  0
    6.5973   -2.1350    0.0827 C   0  0  0  0  0
    5.2703   -2.5090    0.1865 C   0  0  0  0  0
    7.8725   -2.8500    0.1250 C   0  0  0  0  0
    9.0908   -2.1720   -0.0429 C   0  0  0  0  0
   10.3085   -2.8553    0.0048 C   0  0  0  0  0
   10.3269   -4.2302    0.2197 C   0  0  0  0  0
    9.1291   -4.9207    0.3866 C   0  0  0  0  0
    7.9108   -4.2358    0.3396 C   0  0  0  0  0
    1.1355    1.4949    0.0191 H   0  0  0  0  0
    0.8550   -0.0632    0.8192 H   0  0  0  0  0
    0.8787    0.0333   -0.9592 H   0  0  0  0  0
    7.4910    1.2909    0.6773 H   0  0  0  0  0
    6.4619    2.3592    1.6404 H   0  0  0  0  0
    8.6169    3.4265    1.1350 H   0  0  0  0  0
    8.4194    3.1186   -0.5903 H   0  0  0  0  0
    6.6978    4.9721    1.1277 H   0  0  0  0  0
    7.8562    5.4599   -0.1112 H   0  0  0  0  0
    5.5046    5.4914   -0.9678 H   0  0  0  0  0
    6.5252    4.3670   -1.8664 H   0  0  0  0  0
    4.5271    3.6627    0.3433 H   0  0  0  0  0
    4.3906    3.3201   -1.3971 H   0  0  0  0  0
    4.8878   -3.5080    0.3265 H   0  0  0  0  0
    9.1035   -1.0971   -0.2150 H   0  0  0  0  0
   11.2397   -2.3107   -0.1278 H   0  0  0  0  0
   11.2739   -4.7627    0.2563 H   0  0  0  0  0
    9.1414   -5.9948    0.5537 H   0  0  0  0  0
    6.9937   -4.8034    0.4745 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL133032

>  <PubChem CID>
10613667

>  <Formula>
C18H19N3O

>  <Molecular Weight>
293.370000

>  <IUPAC Name>
2-methyl-6-phenyl-4-piperidin-1-ylfuro[3,2-d]pyrimidine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C(=N1)N3CCCCC3)OC(=C2)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=NC2=C(C(=N1)N3CCCCC3)OC(=C2)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H19N3O/c1-13-19-15-12-16(14-8-4-2-5-9-14)22-17(15)18(20-13)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3

>  <InChI Key>
AMMCABHUSVJTAC-UHFFFAOYSA-N

