2-methylpropyl 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate hydrochloride

Systemtic Name: 2-methylpropyl 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate hydrochloride Openeye Name: isobutyl 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate hydrochloride CAS Name: 2-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 2-[[2-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzoate hydrochloride Traditional Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester hydrochloride Formula: C23H25ClN6O5 MolecularWeight: 500.9348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C.Cl

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C.Cl

InChI

InChI=1S/C23H24N6O5.ClH/c1-14(2)13-34-22(31)18-6-4-5-7-19(18)27-21-20(29(32)33)12-24-23(28-21)26-17-10-8-16(9-11-17)25-15(3)30;/h4-12,14H,13H2,1-3H3,(H,25,30)(H2,24,26,27,28);1H