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

Systemtic Name: 8-(2-ethoxyethylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(2-ethoxyethylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(2-ethoxyethylthio)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(2-ethoxyethylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(2-ethoxyethylthio)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N4O3S/c1-3-26-12-13-27-19-20-16-15(17(24)21-18(25)22(16)2)23(19)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,21,24,25)