2-[[4-morpholin-4-yl-6-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1,3,5-triazin-2-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[4-morpholin-4-yl-6-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1,3,5-triazin-2-yl]azaniumyl]ethanoate Openeye Name: 2-[[4-morpholino-6-[(2-oxido-2-oxo-ethyl)amino]-1,3,5-triazin-2-yl]ammonio]acetate CAS Name: 2-[[4-(4-morpholinyl)-6-[(2-oxido-2-oxoethyl)amino]-1,3,5-triazin-2-yl]ammonio]acetate IUPAC Name: 2-[[4-morpholin-4-yl-6-[(2-oxido-2-oxoethyl)amino]-1,3,5-triazin-2-yl]azaniumyl]acetate Traditional Name: 2-[[4-[(2-keto-2-oxido-ethyl)amino]-6-morpholino-s-triazin-2-yl]ammonio]acetate Formula: C11H15N6O5- MolecularWeight: 311.274

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)[NH2+]CC(=O)[O-])NCC(=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)[NH2+]CC(=O)[O-])NCC(=O)[O-]

InChI

InChI=1S/C11H16N6O5/c18-7(19)5-12-9-14-10(13-6-8(20)21)16-11(15-9)17-1-3-22-4-2-17/h1-6H2,(H,18,19)(H,20,21)(H2,12,13,14,15,16)/p-1