2-methylpropyl 4-[[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N-ethyl-3-methyl-anilino)-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:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C

InChI

InChI=1S/C24H27N5O4/c1-5-28(20-8-6-7-17(4)13-20)23-21(29(31)32)22(25-15-26-23)27-19-11-9-18(10-12-19)24(30)33-14-16(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,26,27)