2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-3-carbonitrile hydrochloride

Systemtic Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-3-carbonitrile hydrochloride Openeye Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile hydrochloride CAS Name: 2-[[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-3-pyridinecarbonitrile hydrochloride IUPAC Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile hydrochloride Traditional Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]nicotinonitrile hydrochloride Formula: C16H17ClN6O2 MolecularWeight: 360.79818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CC=N3)C#N.Cl

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CC=N3)C#N.Cl

InChI

InChI=1S/C16H16N6O2.ClH/c1-24-13-4-6-19-16(20-13)22-9-7-21(8-10-22)15(23)14-12(11-17)3-2-5-18-14;/h2-6H,7-10H2,1H3;1H