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

Systemtic Name: 1,3-dimethyl-7-[3-(morpholin-4-ylmethylideneamino)propyl]-8-piperidin-1-yl-purine-2,6-dione hydrochloride Openeye Name: 1,3-dimethyl-7-[3-(morpholinomethyleneamino)propyl]-8-(1-piperidyl)purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[3-(4-morpholinylmethylideneamino)propyl]-8-(1-piperidinyl)purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-7-[3-(morpholin-4-ylmethylideneamino)propyl]-8-piperidin-1-ylpurine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-7-[3-(morpholinomethyleneamino)propyl]-8-piperidino-xanthine hydrochloride Formula: C20H32ClN7O3 MolecularWeight: 453.96618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N7O3.ClH/c1-23-17-16(18(28)24(2)20(23)29)27(19(22-17)26-8-4-3-5-9-26)10-6-7-21-15-25-11-13-30-14-12-25;/h15H,3-14H2,1-2H3;1H