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

Systemtic Name: 4-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-3-carbonitrile hydrochloride Openeye Name: 4-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile hydrochloride CAS Name: 4-[[4-(4-butoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-3-pyridinecarbonitrile hydrochloride IUPAC Name: 4-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile hydrochloride Traditional Name: 4-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]nicotinonitrile hydrochloride Formula: C19H23ClN6O2 MolecularWeight: 402.87792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=NC=C3)C#N.Cl

Isomeric SMILES

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=NC=C3)C#N.Cl

InChI

InChI=1S/C19H22N6O2.ClH/c1-2-3-12-27-17-5-7-22-19(23-17)25-10-8-24(9-11-25)18(26)16-4-6-21-14-15(16)13-20;/h4-7,14H,2-3,8-12H2,1H3;1H