6-oxidanylidene-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide Openeye Name: 6-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide CAS Name: 6-oxo-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]-1H-pyridine-3-carboxamide Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C17H22N6O4S/c24-15-4-3-14(13-21-15)16(25)18-7-2-12-28(26,27)23-10-8-22(9-11-23)17-19-5-1-6-20-17/h1,3-6,13H,2,7-12H2,(H,18,25)(H,21,24)