N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]quinoxaline-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(1,2,4-triazol-4-ylamino)ethyl]quinoxaline-2-carboxamide Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC(CO)C(=O)NN3C=NN=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)N[C@@H](CO)C(=O)NN3C=NN=C3

InChI

InChI=1S/C14H13N7O3/c22-6-12(14(24)20-21-7-16-17-8-21)19-13(23)11-5-15-9-3-1-2-4-10(9)18-11/h1-5,7-8,12,22H,6H2,(H,19,23)(H,20,24)/t12-/m0/s1