1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-sulfanylidene-5,9-dihydro-4H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-sulfanylidene-5,9-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(o-tolylmethyl)-8-thioxo-5,9-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-sulfanylidene-5,9-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-sulfanylidene-5,9-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbenzyl)-8-thioxo-5,9-dihydro-4H-purine-2,6-quinone Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3C(NC2=S)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3C(NC2=S)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C15H18N4O2S/c1-9-6-4-5-7-10(9)8-19-11-12(16-14(19)22)17(2)15(21)18(3)13(11)20/h4-7,11-12H,8H2,1-3H3,(H,16,22)