S-(5-pyridin-4-ylpyrimidin-2-yl) piperazine-1-carbothioate

Systemtic Name: S-(5-pyridin-4-ylpyrimidin-2-yl) piperazine-1-carbothioate Openeye Name: S-[5-(4-pyridyl)pyrimidin-2-yl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-(5-pyridin-4-yl-2-pyrimidinyl) ester IUPAC Name: S-(5-pyridin-4-ylpyrimidin-2-yl) piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[5-(4-pyridyl)pyrimidin-2-yl] ester Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)SC2=NC=C(C=N2)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1)C(=O)SC2=NC=C(C=N2)C3=CC=NC=C3

InChI

InChI=1S/C14H15N5OS/c20-14(19-7-5-16-6-8-19)21-13-17-9-12(10-18-13)11-1-3-15-4-2-11/h1-4,9-10,16H,5-8H2