6-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoic acid

Systemtic Name: 6-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoic acid Openeye Name: 6-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]hexanoic acid CAS Name: 6-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]hexanoic acid Traditional Name: 6-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]hexanoic acid Formula: C16H18ClN5O4 MolecularWeight: 379.79822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O4/c17-11-5-7-12(8-6-11)20-16-19-10-13(22(25)26)15(21-16)18-9-3-1-2-4-14(23)24/h5-8,10H,1-4,9H2,(H,23,24)(H2,18,19,20,21)