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

Systemtic Name: 4-[2-(4-chlorophenyl)-2-oxidanylidene-1-phenyl-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenyl-ethyl]-3-methyl-purine-2,6-dione CAS Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-3-methylpurine-2,6-dione IUPAC Name: 4-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-3-methylpurine-2,6-dione Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-1-phenyl-ethyl]-3-methyl-xanthine Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NC(=O)C2=NC=NC21C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)NC(=O)C2=NC=NC21C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN4O3/c1-25-19(28)24-18(27)17-20(25,23-11-22-17)15(12-5-3-2-4-6-12)16(26)13-7-9-14(21)10-8-13/h2-11,15H,1H3,(H,24,27,28)