2-methylpropyl 4-[[6-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(4-isobutoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[4-[2-methylpropoxy(oxo)methyl]anilino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[4-(2-methylpropoxycarbonyl)anilino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-isobutoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O6/c1-16(2)13-36-25(32)18-5-9-20(10-6-18)29-23-22(31(34)35)24(28-15-27-23)30-21-11-7-19(8-12-21)26(33)37-14-17(3)4/h5-12,15-17H,13-14H2,1-4H3,(H2,27,28,29,30)