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

Systemtic Name: 3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(2-methylallylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(2-methylprop-2-enylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(2-methylallylthio)-7-(3-phenylpropyl)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=C)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H22N4O2S/c1-13(2)12-26-19-20-16-15(17(24)21-18(25)22(16)3)23(19)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,1,7,10-12H2,2-3H3,(H,21,24,25)