3-methyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(methylthio)-7-(3-phenylpropyl)xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CCCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2S/c1-19-13-12(14(21)18-15(19)22)20(16(17-13)23-2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,21,22)