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

Systemtic Name: ethyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c1-3-27-17(23)12-5-7-13(8-6-12)21-16-14(22(24)25)15(19-11-20-16)18-9-4-10-26-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)