4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(tert-butylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(tert-butylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N5O4/c1-15(2,3)19-13-11(20(23)24)12(16-8-17-13)18-10-6-4-9(5-7-10)14(21)22/h4-8H,1-3H3,(H,21,22)(H2,16,17,18,19)