8-azanyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-(2-chlorobenzyl)-3-methyl-xanthine Formula: C13H12ClN5O2 MolecularWeight: 305.71968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C13H12ClN5O2/c1-18-10-9(11(20)17-13(18)21)19(12(15)16-10)6-7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H2,15,16)(H,17,20,21)