7-(2-azanylidene-2-piperidin-1-yl-ethyl)-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-(2-azanylidene-2-piperidin-1-yl-ethyl)-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[2-imino-2-(1-piperidyl)ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-imino-2-(1-piperidinyl)ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-(2-imino-2-piperidin-1-ylethyl)-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-(2-imino-2-piperidino-ethyl)-1,3-dimethyl-xanthine hydrochloride Formula: C14H21ClN6O2 MolecularWeight: 340.80854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O2.ClH/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)8-10(15)19-6-4-3-5-7-19;/h9,15H,3-8H2,1-2H3;1H