3-[7-methyl-8-oxidanylidene-9-[(1R,4R)-4-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]purin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[7-methyl-8-oxidanylidene-9-[(1R,4R)-4-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[9-[(1R,4R)-4-hydroxytetralin-1-yl]-7-methyl-8-oxo-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7-methyl-8-oxo-2-purinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7-methyl-8-oxopurin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[9-[(1R,4R)-4-hydroxytetralin-1-yl]-8-keto-7-methyl-purin-2-yl]benzimidazole-5-carbonitrile Formula: C24H19N7O2 MolecularWeight: 437.45336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C(N=C2N(C1=O)C3CCC(C4=CC=CC=C34)O)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

CN1C2=CN=C(N=C2N(C1=O)[C@@H]3CC[C@H](C4=CC=CC=C34)O)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C24H19N7O2/c1-29-20-12-26-23(30-13-27-17-7-6-14(11-25)10-19(17)30)28-22(20)31(24(29)33)18-8-9-21(32)16-5-3-2-4-15(16)18/h2-7,10,12-13,18,21,32H,8-9H2,1H3/t18-,21-/m1/s1