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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-3,7-dimethyl-8-(3-morpholinopropylamino)xanthine Formula: C21H27ClN6O3 MolecularWeight: 446.93048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCN3CCOCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCN3CCOCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C21H27ClN6O3/c1-25-17-18(24-20(25)23-7-4-8-27-9-11-31-12-10-27)26(2)21(30)28(19(17)29)14-15-5-3-6-16(22)13-15/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,23,24)