N-(cyanomethyl)-4-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[(6-morpholino-3-pyridyl)amino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[[6-(4-morpholinyl)-3-pyridinyl]amino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[(6-morpholino-3-pyridyl)amino]pyrimidin-4-yl]benzamide Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

InChI

InChI=1S/C22H21N7O2/c23-8-10-24-21(30)17-3-1-16(2-4-17)19-7-9-25-22(28-19)27-18-5-6-20(26-15-18)29-11-13-31-14-12-29/h1-7,9,15H,10-14H2,(H,24,30)(H,25,27,28)