4-[[5-nitro-4-[oxidanyl(propyl)amino]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-4-[oxidanyl(propyl)amino]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-[hydroxy(propyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-[hydroxy(propyl)amino]-5-nitro-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-[hydroxy(propyl)amino]-5-nitropyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-[hydroxy(propyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5/c1-2-7-18(22)12-11(19(23)24)8-15-14(17-12)16-10-5-3-9(4-6-10)13(20)21/h3-6,8,22H,2,7H2,1H3,(H,20,21)(H,15,16,17)