N-(cyanomethyl)-4-[2-[[3-(propoxymethyl)phenyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[[3-(propoxymethyl)phenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[3-(propoxymethyl)anilino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[3-(propoxymethyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[3-(propoxymethyl)anilino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[3-(propoxymethyl)anilino]pyrimidin-4-yl]benzamide Formula: C23H23N5O2 MolecularWeight: 401.46102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N

Isomeric SMILES

CCCOCC1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N

InChI

InChI=1S/C23H23N5O2/c1-2-14-30-16-17-4-3-5-20(15-17)27-23-26-12-10-21(28-23)18-6-8-19(9-7-18)22(29)25-13-11-24/h3-10,12,15H,2,13-14,16H2,1H3,(H,25,29)(H,26,27,28)