7-(2-morpholin-4-ylethyl)-8-propan-2-yl-3-propyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-(2-morpholin-4-ylethyl)-8-propan-2-yl-3-propyl-purine-2,6-dione hydrochloride Openeye Name: 8-isopropyl-7-(2-morpholinoethyl)-3-propyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-(4-morpholinyl)ethyl]-8-propan-2-yl-3-propylpurine-2,6-dione hydrochloride IUPAC Name: 7-(2-morpholin-4-ylethyl)-8-propan-2-yl-3-propylpurine-2,6-dione hydrochloride Traditional Name: 8-isopropyl-7-(2-morpholinoethyl)-3-propyl-xanthine hydrochloride Formula: C17H28ClN5O3 MolecularWeight: 385.88892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C(C)C)CCN3CCOCC3.Cl

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C(C)C)CCN3CCOCC3.Cl

InChI

InChI=1S/C17H27N5O3.ClH/c1-4-5-22-15-13(16(23)19-17(22)24)21(14(18-15)12(2)3)7-6-20-8-10-25-11-9-20;/h12H,4-11H2,1-3H3,(H,19,23,24);1H