N-(cyanomethyl)-4-[2-[(4-iodophenyl)amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[(4-iodophenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-(4-iodoanilino)pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-(4-iodoanilino)-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-(4-iodoanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-(4-iodoanilino)pyrimidin-4-yl]benzamide Formula: C19H14IN5O MolecularWeight: 455.25183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)I)C(=O)NCC#N

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)I)C(=O)NCC#N

InChI

InChI=1S/C19H14IN5O/c20-15-5-7-16(8-6-15)24-19-23-11-9-17(25-19)13-1-3-14(4-2-13)18(26)22-12-10-21/h1-9,11H,12H2,(H,22,26)(H,23,24,25)