4-azanyl-N-[4-[[6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]benzamide

Systemtic Name: 4-azanyl-N-[4-[[6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]benzamide Openeye Name: 4-amino-N-[4-[[6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]benzamide CAS Name: 4-amino-N-[4-[[6-(2,4-dimethoxyphenyl)-4-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-amino-N-[4-[[6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]benzamide Traditional Name: 4-amino-N-[4-[[6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]benzamide Formula: C25H23N5O3 MolecularWeight: 441.48182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N)OC

InChI

InChI=1S/C25H23N5O3/c1-32-20-11-12-21(23(13-20)33-2)22-14-24(28-15-27-22)29-18-7-9-19(10-8-18)30-25(31)16-3-5-17(26)6-4-16/h3-15H,26H2,1-2H3,(H,30,31)(H,27,28,29)