9-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 9-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione Openeye Name: 9-[2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione IUPAC Name: 9-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione Traditional Name: 9-[2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]-3-methyl-xanthine Formula: C15H13ClN4O3 MolecularWeight: 332.74172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)N2C=NC3=C2N(C(=O)NC3=O)C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)N2C=NC3=C2N(C(=O)NC3=O)C

InChI

InChI=1S/C15H13ClN4O3/c1-8(12(21)9-3-5-10(16)6-4-9)20-7-17-11-13(22)18-15(23)19(2)14(11)20/h3-8H,1-2H3,(H,18,22,23)