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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

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