ethyl 3-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(tert-butylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(tert-butylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-5-26-16(23)11-7-6-8-12(9-11)20-14-13(22(24)25)15(19-10-18-14)21-17(2,3)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21)