1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(p-tolyl)ethyl]-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H16N4O3S/c1-9-4-6-10(7-5-9)11(21)8-20-12-13(17-15(20)24)18(2)16(23)19(3)14(12)22/h4-7H,8H2,1-3H3,(H,17,24)