2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-[1,3-dimethyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(3-methylbenzyl)purin-8-yl]thio]acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3S/c1-10-5-4-6-11(7-10)8-22-13-14(19-16(22)26-9-12(18)23)20(2)17(25)21(3)15(13)24/h4-7H,8-9H2,1-3H3,(H2,18,23)