8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C23H18ClN5O3 MolecularWeight: 447.87372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H18ClN5O3/c1-27-20-19(21(31)28(2)23(27)32)29(22(24)26-20)12-16(30)17-14-10-6-7-11-15(14)25-18(17)13-8-4-3-5-9-13/h3-11,25H,12H2,1-2H3