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

Systemtic Name: 2-methylpropyl 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-10(2)8-25-16(22)11-4-6-12(7-5-11)20-15-13(21(23)24)14(17-3)18-9-19-15/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,20)