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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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