1-[(3,4-dichlorophenyl)methyl]-3-(3,3-dimethyl-2-oxidanylidene-butyl)-8-ethyl-7-methyl-purine-2,6-dione

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3,3-dimethyl-2-oxidanylidene-butyl)-8-ethyl-7-methyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3,3-dimethyl-2-oxo-butyl)-8-ethyl-7-methyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-7-methylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-7-methylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-ethyl-3-(2-keto-3,3-dimethyl-butyl)-7-methyl-xanthine Formula: C21H24Cl2N4O3 MolecularWeight: 451.34626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2CC(=O)C(C)(C)C)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2CC(=O)C(C)(C)C)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H24Cl2N4O3/c1-6-16-24-18-17(25(16)5)19(29)27(10-12-7-8-13(22)14(23)9-12)20(30)26(18)11-15(28)21(2,3)4/h7-9H,6,10-11H2,1-5H3