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

Systemtic Name: 3-[[5-nitro-6-[(2-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[[6-(2-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[[5-nitro-6-(2-propan-2-ylanilino)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[5-nitro-6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[[6-(2-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)C1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(=O)O)[N+](=O)[O-]

InChI

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