methyl 2-[methyl-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

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