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

Systemtic Name: methyl 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(tert-butylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(tert-butylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-16(2,3)20-14-12(21(23)24)13(17-9-18-14)19-11-7-5-10(6-8-11)15(22)25-4/h5-9H,1-4H3,(H2,17,18,19,20)