7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylsulfanylethoxy)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylsulfanylethoxy)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylsulfanylethoxy)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(methylthio)ethoxy]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylsulfanylethoxy)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-[2-(methylthio)ethoxy]xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCSC)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCSC)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H19ClN4O3S/c1-20-14-13(15(23)21(2)17(20)24)22(16(19-14)25-8-9-26-3)10-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3