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

Systemtic Name: 3-[4-(4-propoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-2-carbonitrile hydrochloride Openeye Name: 3-[4-(4-propoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-2-carbonitrile hydrochloride CAS Name: 3-[oxo-[4-(4-propoxy-2-pyrimidinyl)-1-piperazinyl]methyl]-2-pyridinecarbonitrile hydrochloride IUPAC Name: 3-[4-(4-propoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-2-carbonitrile hydrochloride Traditional Name: 3-[4-(4-propoxypyrimidin-2-yl)piperazine-1-carbonyl]picolinonitrile hydrochloride Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)C#N.Cl

Isomeric SMILES

CCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)C#N.Cl

InChI

InChI=1S/C18H20N6O2.ClH/c1-2-12-26-16-5-7-21-18(22-16)24-10-8-23(9-11-24)17(25)14-4-3-6-20-15(14)13-19;/h3-7H,2,8-12H2,1H3;1H