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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoxaline-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]quinoxaline-2-carboxamide Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CO)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CO)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H21N7O3/c28-13-17(25-18(29)16-12-23-14-4-1-2-5-15(14)24-16)19(30)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h1-7,12,17,28H,8-11,13H2,(H,25,29)/t17-/m0/s1