6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide

Systemtic Name: 6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Openeye Name: 6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide CAS Name: 6-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinecarbothioamide IUPAC Name: 6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Traditional Name: 6-[4-(2-pyrimidyl)piperazino]thionicotinamide Formula: C14H16N6S MolecularWeight: 300.38204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(=S)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=S)N)C3=NC=CC=N3

InChI

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