7-[(2,4-dichlorophenyl)methyl]-8-imidazol-1-yl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-8-imidazol-1-yl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-imidazol-1-yl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-8-(1-imidazolyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-8-imidazol-1-yl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-imidazol-1-yl-1,3-dimethyl-xanthine Formula: C17H14Cl2N6O2 MolecularWeight: 405.23806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H14Cl2N6O2/c1-22-14-13(15(26)23(2)17(22)27)25(16(21-14)24-6-5-20-9-24)8-10-3-4-11(18)7-12(10)19/h3-7,9H,8H2,1-2H3