3-[[5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[[5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[[5-nitro-6-(N-propan-2-ylanilino)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]propionic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-11(2)20(12-6-4-3-5-7-12)16-14(21(24)25)15(18-10-19-16)17-9-8-13(22)23/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,17,18,19)