N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]cinchoninamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CO)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C21H22N6O3/c28-14-18(25-19(29)16-6-9-22-17-5-2-1-4-15(16)17)20(30)26-10-12-27(13-11-26)21-23-7-3-8-24-21/h1-9,18,28H,10-14H2,(H,25,29)/t18-/m0/s1