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

Systemtic Name: N-(cyanomethyl)-4-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N

InChI

InChI=1S/C22H21N5O4/c1-29-18-12-16(13-19(30-2)20(18)31-3)26-22-25-10-8-17(27-22)14-4-6-15(7-5-14)21(28)24-11-9-23/h4-8,10,12-13H,11H2,1-3H3,(H,24,28)(H,25,26,27)