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

Systemtic Name: butyl 4-[[2-[(4-butoxycarbonylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 4-[[2-(4-butoxycarbonylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-[4-[butoxy(oxo)methyl]anilino]-6-methyl-5-nitro-4-pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-butoxycarbonylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-butoxycarbonylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid butyl ester Formula: C27H31N5O6 MolecularWeight: 521.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O6/c1-4-6-16-37-25(33)19-8-12-21(13-9-19)29-24-23(32(35)36)18(3)28-27(31-24)30-22-14-10-20(11-15-22)26(34)38-17-7-5-2/h8-15H,4-7,16-17H2,1-3H3,(H2,28,29,30,31)