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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-xanthine Formula: C14H12Cl2N4O2 MolecularWeight: 339.17668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H12Cl2N4O2/c1-18-7-17-12-11(18)13(21)20(14(22)19(12)2)6-8-3-4-9(15)10(16)5-8/h3-5,7H,6H2,1-2H3