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

Systemtic Name: 9-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 9-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 9-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 9-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C14H10Cl2N4O3 MolecularWeight: 353.1602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N4O3/c1-19-13-11(12(22)18-14(19)23)17-6-20(13)5-10(21)8-3-2-7(15)4-9(8)16/h2-4,6H,5H2,1H3,(H,18,22,23)