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

Systemtic Name: N-(cyanomethyl)-4-[2-[[4-[3-(diethylamino)propoxy]phenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[4-[3-(diethylamino)propoxy]anilino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[4-[3-(diethylamino)propoxy]anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[4-[3-(diethylamino)propoxy]anilino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[4-[3-(diethylamino)propoxy]anilino]pyrimidin-4-yl]benzamide Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N

Isomeric SMILES

CCN(CC)CCCOC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N

InChI

InChI=1S/C26H30N6O2/c1-3-32(4-2)18-5-19-34-23-12-10-22(11-13-23)30-26-29-16-14-24(31-26)20-6-8-21(9-7-20)25(33)28-17-15-27/h6-14,16H,3-5,17-19H2,1-2H3,(H,28,33)(H,29,30,31)