methyl 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N6O4/c1-11-4-3-9-19-15(11)23-17-14(24(26)27)16(20-10-21-17)22-13-7-5-12(6-8-13)18(25)28-2/h3-10H,1-2H3,(H2,19,20,21,22,23)