7-(2-morpholin-4-ylethyl)-8-(4-piperidin-1-ylphenyl)-3-propyl-purine-2,6-dione dihydrochloride

Systemtic Name: 7-(2-morpholin-4-ylethyl)-8-(4-piperidin-1-ylphenyl)-3-propyl-purine-2,6-dione dihydrochloride Openeye Name: 7-(2-morpholinoethyl)-8-[4-(1-piperidyl)phenyl]-3-propyl-purine-2,6-dione dihydrochloride CAS Name: 7-[2-(4-morpholinyl)ethyl]-8-[4-(1-piperidinyl)phenyl]-3-propylpurine-2,6-dione dihydrochloride IUPAC Name: 7-(2-morpholin-4-ylethyl)-8-(4-piperidin-1-ylphenyl)-3-propylpurine-2,6-dione dihydrochloride Traditional Name: 7-(2-morpholinoethyl)-8-(4-piperidinophenyl)-3-propyl-xanthine dihydrochloride Formula: C25H36Cl2N6O3 MolecularWeight: 539.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N4CCCCC4)CCN5CCOCC5.Cl.Cl

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N4CCCCC4)CCN5CCOCC5.Cl.Cl

InChI

InChI=1S/C25H34N6O3.2ClH/c1-2-10-31-23-21(24(32)27-25(31)33)30(14-13-28-15-17-34-18-16-28)22(26-23)19-6-8-20(9-7-19)29-11-4-3-5-12-29;;/h6-9H,2-5,10-18H2,1H3,(H,27,32,33);2*1H