7-ethyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(3-phenylpropylthio)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

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