3-chloranyl-5-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[(1-pyrimidin-2-yl-3-piperidyl)amino]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[[1-(2-pyrimidinyl)-3-piperidinyl]amino]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[[1-(2-pyrimidyl)-3-piperidyl]amino]isothiazole-4-carbonitrile Formula: C13H13ClN6S MolecularWeight: 320.80052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)NC3=C(C(=NS3)Cl)C#N

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)NC3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C13H13ClN6S/c14-11-10(7-15)12(21-19-11)18-9-3-1-6-20(8-9)13-16-4-2-5-17-13/h2,4-5,9,18H,1,3,6,8H2