methyl 4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(6-cumidino-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-13(2)14-4-8-16(9-5-14)24-19-18(26(28)29)20(23-12-22-19)25-17-10-6-15(7-11-17)21(27)30-3/h4-13H,1-3H3,(H2,22,23,24,25)