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

Systemtic Name: 7-(2-morpholin-4-ylethyl)-3-propyl-8-thiophen-2-yl-purine-2,6-dione hydrochloride Openeye Name: 7-(2-morpholinoethyl)-3-propyl-8-(2-thienyl)purine-2,6-dione hydrochloride CAS Name: 7-[2-(4-morpholinyl)ethyl]-3-propyl-8-thiophen-2-ylpurine-2,6-dione hydrochloride IUPAC Name: 7-(2-morpholin-4-ylethyl)-3-propyl-8-thiophen-2-ylpurine-2,6-dione hydrochloride Traditional Name: 7-(2-morpholinoethyl)-3-propyl-8-(2-thienyl)xanthine hydrochloride Formula: C18H24ClN5O3S MolecularWeight: 425.93286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CCN4CCOCC4.Cl

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CS3)CCN4CCOCC4.Cl

InChI

InChI=1S/C18H23N5O3S.ClH/c1-2-5-23-16-14(17(24)20-18(23)25)22(7-6-21-8-10-26-11-9-21)15(19-16)13-4-3-12-27-13;/h3-4,12H,2,5-11H2,1H3,(H,20,24,25);1H