3-methyl-8-(4-methylphenyl)sulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylphenyl)sulfanyl-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-7-propyl-8-(p-tolylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)thio]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylphenyl)sulfanyl-7-propylpurine-2,6-dione Traditional Name: 3-methyl-7-propyl-8-(p-tolylthio)xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H18N4O2S/c1-4-9-20-12-13(19(3)15(22)18-14(12)21)17-16(20)23-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,18,21,22)