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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(p-tolylmethyl)-8-thioxo-9H-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-methylbenzyl)-8-thioxo-9H-purine-2,6-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC(=S)N3C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC(=S)N3C)N(C2=O)C

InChI

InChI=1S/C15H16N4O2S/c1-9-4-6-10(7-5-9)8-19-13(20)11-12(18(3)15(19)21)16-14(22)17(11)2/h4-7H,8H2,1-3H3,(H,16,22)