4-[2-(4-chlorophenyl)-2-oxidanylidene-1-phenyl-ethyl]-1,3-diethyl-purine-2,6-dione

Systemtic Name: 4-[2-(4-chlorophenyl)-2-oxidanylidene-1-phenyl-ethyl]-1,3-diethyl-purine-2,6-dione Openeye Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenyl-ethyl]-1,3-diethyl-purine-2,6-dione CAS Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-1,3-diethylpurine-2,6-dione IUPAC Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-1,3-diethylpurine-2,6-dione Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-1-phenyl-ethyl]-1,3-diethyl-xanthine Formula: C23H21ClN4O3 MolecularWeight: 436.89084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=NC=NC2(N(C1=O)CC)C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=O)C2=NC=NC2(N(C1=O)CC)C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-3-27-21(30)20-23(26-14-25-20,28(4-2)22(27)31)18(15-8-6-5-7-9-15)19(29)16-10-12-17(24)13-11-16/h5-14,18H,3-4H2,1-2H3