2-methylpropyl 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O4/c1-13(2)11-30-20(27)14-5-7-15(8-6-14)24-18-17(26(28)29)19(23-12-22-18)25-16-4-3-9-21-10-16/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,25)