2-methylpropyl 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(dimethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(dimethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-11(2)9-26-17(23)12-5-7-13(8-6-12)20-15-14(22(24)25)16(21(3)4)19-10-18-15/h5-8,10-11H,9H2,1-4H3,(H,18,19,20)