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

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-8-propylsulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(propylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-propylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-(propylthio)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H20N4O2S/c1-4-9-24-17-18-14-13(15(22)19-16(23)20(14)3)21(17)10-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,19,22,23)