3-[8-[2-(dimethylamino)pyrimidin-5-yl]-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[8-[2-(dimethylamino)pyrimidin-5-yl]-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[8-[2-(dimethylamino)pyrimidin-5-yl]-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[8-[2-(dimethylamino)-5-pyrimidinyl]-9-(4-oxanyl)-2-purinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[8-[2-(dimethylamino)pyrimidin-5-yl]-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-[2-(dimethylamino)pyrimidin-5-yl]-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile Formula: C24H22N10O MolecularWeight: 466.49788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=N1)C2=NC3=CN=C(N=C3N2C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

CN(C)C1=NC=C(C=N1)C2=NC3=CN=C(N=C3N2C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C24H22N10O/c1-32(2)23-26-11-16(12-27-23)21-30-19-13-28-24(31-22(19)34(21)17-5-7-35-8-6-17)33-14-29-18-4-3-15(10-25)9-20(18)33/h3-4,9,11-14,17H,5-8H2,1-2H3