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

Systemtic Name: 3-[9-(oxan-4-yl)-8-oxidanylidene-6-pyridin-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[8-oxo-6-(4-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[9-(4-oxanyl)-8-oxo-6-pyridin-4-yl-7H-purin-2-yl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[9-(oxan-4-yl)-8-oxo-6-pyridin-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-keto-6-(4-pyridyl)-9-tetrahydropyran-4-yl-7H-purin-2-yl]benzimidazole-5-carbonitrile Formula: C23H18N8O2 MolecularWeight: 438.44142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=NC(=NC(=C3NC2=O)C4=CC=NC=C4)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

C1COCCC1N2C3=NC(=NC(=C3NC2=O)C4=CC=NC=C4)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C23H18N8O2/c24-12-14-1-2-17-18(11-14)30(13-26-17)22-27-19(15-3-7-25-8-4-15)20-21(29-22)31(23(32)28-20)16-5-9-33-10-6-16/h1-4,7-8,11,13,16H,5-6,9-10H2,(H,28,32)