butyl 4-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate

Systemtic Name: butyl 4-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: butyl 4-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(4-ethoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-methyl-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]benzoic acid butyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O5/c1-4-6-15-34-23(30)17-7-9-19(10-8-17)27-24-25-16(3)21(29(31)32)22(28-24)26-18-11-13-20(14-12-18)33-5-2/h7-14H,4-6,15H2,1-3H3,(H2,25,26,27,28)