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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-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(=CC=C1)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C

Isomeric SMILES

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

InChI

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