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

Systemtic Name: 3-[6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)-8-oxidanylidene-7H-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[6-(4-methylpiperazin-1-yl)-8-oxo-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[6-(4-methyl-1-piperazinyl)-9-(4-oxanyl)-8-oxo-7H-purin-2-yl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-keto-6-(4-methylpiperazino)-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Formula: C23H25N9O2 MolecularWeight: 459.5037

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=C2NC(=O)N3C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C23H25N9O2/c1-29-6-8-30(9-7-29)20-19-21(32(23(33)26-19)16-4-10-34-11-5-16)28-22(27-20)31-14-25-17-3-2-15(13-24)12-18(17)31/h2-3,12,14,16H,4-11H2,1H3,(H,26,33)