2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinecarbothioamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Traditional Name: 2-[4-(2-pyrimidyl)piperazino]thionicotinamide Formula: C14H16N6S MolecularWeight: 300.38204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C(=S)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C(=S)N)C3=NC=CC=N3

InChI

InChI=1S/C14H16N6S/c15-12(21)11-3-1-4-16-13(11)19-7-9-20(10-8-19)14-17-5-2-6-18-14/h1-6H,7-10H2,(H2,15,21)