2-[3-methyl-8-[(4-methylphenyl)methylsulfanyl]-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: 2-[3-methyl-8-[(4-methylphenyl)methylsulfanyl]-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[3-methyl-2,6-dioxo-8-(p-tolylmethylsulfanyl)purin-7-yl]acetamide CAS Name: 2-[3-methyl-8-[(4-methylphenyl)methylthio]-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[3-methyl-8-[(4-methylphenyl)methylsulfanyl]-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-3-methyl-8-[(4-methylbenzyl)thio]purin-7-yl]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)N)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)N)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H17N5O3S/c1-9-3-5-10(6-4-9)8-25-16-18-13-12(21(16)7-11(17)22)14(23)19-15(24)20(13)2/h3-6H,7-8H2,1-2H3,(H2,17,22)(H,19,23,24)