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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(2-diethylaminoethylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(2-diethylaminoethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(2-diethylaminoethylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(2-diethylaminoethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(2-diethylaminoethylamino)-3,7-dimethyl-xanthine Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN6O2/c1-5-26(6-2)12-11-22-19-23-17-16(24(19)3)18(28)27(20(29)25(17)4)13-14-7-9-15(21)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)