2-methylpropyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N6O4/c1-12(2)10-30-20(27)15-5-7-16(8-6-15)23-18-17(26(28)29)19(22-11-21-18)25-14(4)9-13(3)24-25/h5-9,11-12H,10H2,1-4H3,(H,21,22,23)