N-(3-methylsulfanylphenyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H19N5OS/c1-23-14-5-2-4-13(12-14)19-16(22)21-10-8-20(9-11-21)15-17-6-3-7-18-15/h2-7,12H,8-11H2,1H3,(H,19,22)