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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C(=O)NC(=O)N3C

InChI

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