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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 8-(isobutylthio)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)SCC(C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)SCC(C)C)N(C2=O)C

InChI

InChI=1S/C19H24N4O2S/c1-12(2)11-26-18-20-16-15(21(18)4)17(24)23(19(25)22(16)5)10-14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3