3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]propionic acid Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H15N5O4/c1-15-13-11(19(22)23)8-16-14(18-13)17-10-5-2-9(3-6-10)4-7-12(20)21/h2-3,5-6,8H,4,7H2,1H3,(H,20,21)(H2,15,16,17,18)