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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(2-diethylaminoethylamino)-1,3-dimethyl-xanthine Formula: C20H26Cl2N6O2 MolecularWeight: 453.36544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26Cl2N6O2/c1-5-27(6-2)10-9-23-19-24-17-16(18(29)26(4)20(30)25(17)3)28(19)12-13-7-8-14(21)15(22)11-13/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,23,24)