2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: 2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide CAS Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide Formula: C20H20N6O6 MolecularWeight: 440.4094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O6/c1-30-15-8-11(9-16(31-2)17(15)32-3)23-20-22-10-14(26(28)29)19(25-20)24-13-7-5-4-6-12(13)18(21)27/h4-10H,1-3H3,(H2,21,27)(H2,22,23,24,25)