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

Systemtic Name: cyclohexyl 4-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate hydrochloride Openeye Name: cyclohexyl 4-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate hydrochloride CAS Name: 4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid cyclohexyl ester hydrochloride IUPAC Name: cyclohexyl 4-[[2-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzoate hydrochloride Traditional Name: 4-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid cyclohexyl ester hydrochloride Formula: C25H27ClN6O5 MolecularWeight: 526.97208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(=O)OC4CCCCC4)[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(=O)OC4CCCCC4)[N+](=O)[O-].Cl

InChI

InChI=1S/C25H26N6O5.ClH/c1-16(32)27-18-11-13-20(14-12-18)29-25-26-15-22(31(34)35)23(30-25)28-19-9-7-17(8-10-19)24(33)36-21-5-3-2-4-6-21;/h7-15,21H,2-6H2,1H3,(H,27,32)(H2,26,28,29,30);1H