1,3-dimethyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-methylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(methylthio)-7-(3-phenylpropyl)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC)CCCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-19-14-13(15(22)20(2)17(19)23)21(16(18-14)24-3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3