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

Systemtic Name: ethyl 3-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O5/c1-2-31-20(27)15-5-3-6-16(13-15)24-19-17(26(28)29)18(22-14-23-19)21-7-4-8-25-9-11-30-12-10-25/h3,5-6,13-14H,2,4,7-12H2,1H3,(H2,21,22,23,24)