7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylamino)-4,5-dihydropurine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylamino)-4,5-dihydropurine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylamino)-4,5-dihydropurine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylamino)-4,5-dihydropurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(methylamino)-4,5-dihydropurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-(methylamino)-4,5-dihydropurine-2,6-quinone Formula: C14H16ClN5O2 MolecularWeight: 321.76214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CNC1=NC2C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H16ClN5O2/c1-16-13-17-11-10(12(21)18-14(22)19(11)2)20(13)7-8-3-5-9(15)6-4-8/h3-6,10-11H,7H2,1-2H3,(H,16,17)(H,18,21,22)