3-[6-[(1-methylpiperidin-4-yl)amino]-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[6-[(1-methylpiperidin-4-yl)amino]-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[6-[(1-methyl-4-piperidyl)amino]-8-oxo-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[6-[(1-methyl-4-piperidinyl)amino]-9-(4-oxanyl)-8-oxo-7H-purin-2-yl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-[(1-methylpiperidin-4-yl)amino]-9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-keto-6-[(1-methyl-4-piperidyl)amino]-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Formula: C24H27N9O2 MolecularWeight: 473.53028

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

CN1CCC(CC1)NC2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C24H27N9O2/c1-31-8-4-16(5-9-31)27-21-20-22(33(24(34)28-20)17-6-10-35-11-7-17)30-23(29-21)32-14-26-18-3-2-15(13-25)12-19(18)32/h2-3,12,14,16-17H,4-11H2,1H3,(H,28,34)(H,27,29,30)