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

Systemtic Name: butyl 4-[[4-[(2-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: butyl 4-[[4-(2-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(2-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(2-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-methyl-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]benzoic acid butyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC=CC=C3OC)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC=CC=C3OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N5O5/c1-4-5-14-33-22(29)16-10-12-17(13-11-16)25-23-24-15(2)20(28(30)31)21(27-23)26-18-8-6-7-9-19(18)32-3/h6-13H,4-5,14H2,1-3H3,(H2,24,25,26,27)