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

Systemtic Name: 2-methylpropyl 4-[[6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(3-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(3-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C

InChI

InChI=1S/C22H23N5O4/c1-14(2)12-31-22(28)16-7-9-17(10-8-16)25-20-19(27(29)30)21(24-13-23-20)26-18-6-4-5-15(3)11-18/h4-11,13-14H,12H2,1-3H3,(H2,23,24,25,26)