N-cyclohexyl-2-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbenzimidazol-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbenzimidazol-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylbenzimidazol-1-yl]acetamide CAS Name: N-cyclohexyl-2-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-1-benzimidazolyl]acetamide IUPAC Name: N-cyclohexyl-2-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylbenzimidazol-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]benzimidazol-1-yl]acetamide Formula: C23H27N7O3S MolecularWeight: 481.57058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC(=O)NC5CCCCC5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3CC(=O)NC5CCCCC5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H27N7O3S/c1-27-18-19(28(2)23(33)29(3)20(18)32)26-21(27)34-22-25-15-11-7-8-12-16(15)30(22)13-17(31)24-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,24,31)