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

Systemtic Name: 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[1,3-dimethyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(3-methylbenzyl)purin-8-yl]thio]-N-phenyl-acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)NC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)NC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H23N5O3S/c1-15-8-7-9-16(12-15)13-28-19-20(26(2)23(31)27(3)21(19)30)25-22(28)32-14-18(29)24-17-10-5-4-6-11-17/h4-12H,13-14H2,1-3H3,(H,24,29)