7-(2-azanyl-1-morpholin-4-yl-ethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione hydrochloride

Systemtic Name: 7-(2-azanyl-1-morpholin-4-yl-ethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione hydrochloride Openeye Name: 7-(2-amino-1-morpholino-ethyl)-8-benzyl-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-amino-1-(4-morpholinyl)ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione hydrochloride IUPAC Name: 7-(2-amino-1-morpholin-4-ylethyl)-8-benzyl-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-(2-amino-1-morpholino-ethyl)-8-benzyl-1,3-dimethyl-xanthine hydrochloride Formula: C20H27ClN6O3 MolecularWeight: 434.91978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)C(CN)N4CCOCC4.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)C(CN)N4CCOCC4.Cl

InChI

InChI=1S/C20H26N6O3.ClH/c1-23-18-17(19(27)24(2)20(23)28)26(16(13-21)25-8-10-29-11-9-25)15(22-18)12-14-6-4-3-5-7-14;/h3-7,16H,8-13,21H2,1-2H3;1H