methyl 4-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 4-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H17N5O5/c1-25-16(22)11-2-4-12(5-3-11)19-14-13(21(23)24)15(18-10-17-14)20-6-8-26-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,18,19)