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

Systemtic Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-2-carbonitrile hydrochloride Openeye Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-2-carbonitrile hydrochloride CAS Name: 3-[[4-(4-butoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-2-pyridinecarbonitrile hydrochloride IUPAC Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-2-carbonitrile hydrochloride Traditional Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]picolinonitrile 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(N=CC=C3)C#N.Cl

Isomeric SMILES

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

InChI

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