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

Systemtic Name: 8-(2-azanylethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H19ClN6O2/c1-21-13-12(14(24)22(2)16(21)25)23(15(20-13)19-8-7-18)9-10-5-3-4-6-11(10)17/h3-6H,7-9,18H2,1-2H3,(H,19,20)