methyl 4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O5/c1-29-19(26)14-3-5-15(6-4-14)23-18-16(25(27)28)17(21-13-22-18)20-7-2-8-24-9-11-30-12-10-24/h3-6,13H,2,7-12H2,1H3,(H2,20,21,22,23)