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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-thioxo-9H-purine-2,6-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(NC2=S)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(NC2=S)N(C(=O)NC3=O)C

InChI

InChI=1S/C14H14N4O2S/c1-8-4-3-5-9(6-8)7-18-10-11(15-14(18)21)17(2)13(20)16-12(10)19/h3-6H,7H2,1-2H3,(H,15,21)(H,16,19,20)