1,3-dimethyl-7-[2-(morpholin-4-ylmethylideneamino)ethyl]-8-piperidin-1-yl-purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-(morpholin-4-ylmethylideneamino)ethyl]-8-piperidin-1-yl-purine-2,6-dione hydrochloride Openeye Name: 1,3-dimethyl-7-[2-(morpholinomethyleneamino)ethyl]-8-(1-piperidyl)purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[2-(4-morpholinylmethylideneamino)ethyl]-8-(1-piperidinyl)purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-7-[2-(morpholin-4-ylmethylideneamino)ethyl]-8-piperidin-1-ylpurine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-7-[2-(morpholinomethyleneamino)ethyl]-8-piperidino-xanthine hydrochloride Formula: C19H30ClN7O3 MolecularWeight: 439.9396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCN=CN4CCOCC4.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCN=CN4CCOCC4.Cl

InChI

InChI=1S/C19H29N7O3.ClH/c1-22-16-15(17(27)23(2)19(22)28)26(18(21-16)25-7-4-3-5-8-25)9-6-20-14-24-10-12-29-13-11-24;/h14H,3-13H2,1-2H3;1H