8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)sulfanylmethyl]-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(2-chlorophenyl)thio]methyl]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[(2-chlorophenyl)thio]methyl]-7-isopropyl-3-methyl-xanthine Formula: C16H17ClN4O2S MolecularWeight: 364.84978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1C(=O)NC(=O)N2C)CSC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)N1C(=NC2=C1C(=O)NC(=O)N2C)CSC3=CC=CC=C3Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-9(2)21-12(8-24-11-7-5-4-6-10(11)17)18-14-13(21)15(22)19-16(23)20(14)3/h4-7,9H,8H2,1-3H3,(H,19,22,23)