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

Systemtic Name: 9-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 9-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 9-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 9-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C14H11ClN4O3 MolecularWeight: 318.71514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN4O3/c1-18-13-11(12(21)17-14(18)22)16-7-19(13)6-10(20)8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,17,21,22)