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

Systemtic Name: 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(propylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N5O4/c1-2-7-15-12-11(19(22)23)13(17-8-16-12)18-10-5-3-9(4-6-10)14(20)21/h3-6,8H,2,7H2,1H3,(H,20,21)(H2,15,16,17,18)