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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

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