methyl (2S)-2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propionic acid methyl ester Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C12H17N5O6/c1-22-12(19)8(6-18)15-10-9(17(20)21)11(14-7-13-10)16-2-4-23-5-3-16/h7-8,18H,2-6H2,1H3,(H,13,14,15)/t8-/m0/s1