2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]carbonylthiophene-3-carbonitrile hydrochloride

Systemtic Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]carbonylthiophene-3-carbonitrile hydrochloride Openeye Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]thiophene-3-carbonitrile hydrochloride CAS Name: 2-[[4-(4-ethoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-3-thiophenecarbonitrile hydrochloride IUPAC Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]thiophene-3-carbonitrile hydrochloride Traditional Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]thiophene-3-carbonitrile hydrochloride Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CS3)C#N.Cl

Isomeric SMILES

CCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CS3)C#N.Cl

InChI

InChI=1S/C16H17N5O2S.ClH/c1-2-23-13-3-5-18-16(19-13)21-8-6-20(7-9-21)15(22)14-12(11-17)4-10-24-14;/h3-5,10H,2,6-9H2,1H3;1H