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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(6-cumidino-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-15(2)13-33-24(30)18-7-11-20(12-8-18)28-23-21(29(31)32)22(25-14-26-23)27-19-9-5-17(6-10-19)16(3)4/h5-12,14-16H,13H2,1-4H3,(H2,25,26,27,28)