
 SCHEMBL1671969

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1671969

>  <PubChem CID>
67116652

>  <Formula>
C26H33N7O

>  <Molecular Weight>
459.598000

>  <IUPAC Name>
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-propan-2-yl-2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC(=C4)C(C)C)N5N=CC=N5)C(C)C

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC(=C4)C(C)C)N5N=CC=N5)C(C)C

>  <InChI Std. ID>
InChI=1S/C26H33N7O/c1-16(2)19-6-7-24(33-27-8-9-28-33)22(11-19)25(34)31-12-20-14-32(15-21(20)13-31)26-29-18(5)10-23(30-26)17(3)4/h6-11,16-17,20-21H,12-15H2,1-5H3

>  <InChI Key>
ABWMSPCTSXQCBA-UHFFFAOYSA-N

