8-chloranyl-1,3-dimethyl-9-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-9-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-9-[2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-9-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-9-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-9-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H15ClN4O3 MolecularWeight: 346.7683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Cl

InChI

InChI=1S/C16H15ClN4O3/c1-9-4-6-10(7-5-9)11(22)8-21-13-12(18-15(21)17)14(23)20(3)16(24)19(13)2/h4-7H,8H2,1-3H3