7-[(2-chlorophenyl)methyl]-3-methyl-6-propan-2-ylsulfanyl-9H-purine-2,8-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-6-propan-2-ylsulfanyl-9H-purine-2,8-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-6-isopropylsulfanyl-3-methyl-9H-purine-2,8-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-6-(propan-2-ylthio)-9H-purine-2,8-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-6-propan-2-ylsulfanyl-9H-purine-2,8-dione Traditional Name: 7-(2-chlorobenzyl)-6-(isopropylthio)-3-methyl-9H-purine-2,8-quinone Formula: C16H17ClN4O2S MolecularWeight: 364.84978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)N(C2=C1N(C(=O)N2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC(C)SC1=NC(=O)N(C2=C1N(C(=O)N2)CC3=CC=CC=C3Cl)C

InChI

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