N-(cyanomethyl)-4-[5-methyl-2-[[4-(3-oxidanylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[5-methyl-2-[[4-(3-oxidanylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[4-(3-hydroxy-1-piperidyl)anilino]-5-methyl-pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[4-(3-hydroxy-1-piperidinyl)anilino]-5-methyl-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[4-(3-hydroxypiperidin-1-yl)anilino]-5-methylpyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[4-(3-hydroxypiperidino)anilino]-5-methyl-pyrimidin-4-yl]benzamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)C(=O)NCC#N)NC3=CC=C(C=C3)N4CCCC(C4)O

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)C(=O)NCC#N)NC3=CC=C(C=C3)N4CCCC(C4)O

InChI

InChI=1S/C25H26N6O2/c1-17-15-28-25(29-20-8-10-21(11-9-20)31-14-2-3-22(32)16-31)30-23(17)18-4-6-19(7-5-18)24(33)27-13-12-26/h4-11,15,22,32H,2-3,13-14,16H2,1H3,(H,27,33)(H,28,29,30)