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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)N)N(C(=O)NC3=O)C

InChI

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