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

Systemtic Name: 1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(p-tolylmethylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methylphenyl)methylthio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylbenzyl)thio]-7H-purine-2,6-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

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