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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(phenylazanylmethyl)purine-2,6-dione Openeye Name: 8-(anilinomethyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(anilinomethyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(anilinomethyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(anilinomethyl)-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-25-19-18(20(28)26(2)21(25)29)27(13-14-8-10-15(22)11-9-14)17(24-19)12-23-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3