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

Systemtic Name: 3-[9-(oxan-4-yl)-8-pyrimidin-5-yl-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-(8-pyrimidin-5-yl-9-tetrahydropyran-4-yl-purin-2-yl)benzimidazole-5-carbonitrile CAS Name: 3-[9-(4-oxanyl)-8-(5-pyrimidinyl)-2-purinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[9-(oxan-4-yl)-8-pyrimidin-5-ylpurin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-(5-pyrimidyl)-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile Formula: C22H17N9O MolecularWeight: 423.43008

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C(=NC3=CN=C(N=C32)N4C=NC5=C4C=C(C=C5)C#N)C6=CN=CN=C6

Isomeric SMILES

C1COCCC1N2C(=NC3=CN=C(N=C32)N4C=NC5=C4C=C(C=C5)C#N)C6=CN=CN=C6

InChI

InChI=1S/C22H17N9O/c23-8-14-1-2-17-19(7-14)30(13-27-17)22-26-11-18-21(29-22)31(16-3-5-32-6-4-16)20(28-18)15-9-24-12-25-10-15/h1-2,7,9-13,16H,3-6H2