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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(2-dimethylaminoethylamino)-1,3-dimethyl-xanthine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN6O2/c1-22(2)10-9-20-17-21-15-14(16(26)24(4)18(27)23(15)3)25(17)11-12-5-7-13(19)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,21)