4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N5O5/c1-25-8-2-7-16-13-12(20(23)24)14(18-9-17-13)19-11-5-3-10(4-6-11)15(21)22/h3-6,9H,2,7-8H2,1H3,(H,21,22)(H2,16,17,18,19)