N-cyclohexyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]thio]acetamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H29N5O3S/c1-15-9-11-16(12-10-15)13-28-19-20(26(2)23(31)27(3)21(19)30)25-22(28)32-14-18(29)24-17-7-5-4-6-8-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,24,29)