N-(cyanomethyl)-4-methyl-2-[4-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[2-(1-piperazinyl)-5-pyrimidinyl]phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(2-piperazinopyrimidin-5-yl)phenyl]thio]valeramide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CN=C(N=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CN=C(N=C2)N3CCNCC3

InChI

InChI=1S/C22H28N6OS/c1-16(2)13-20(21(29)25-8-7-23)30-19-5-3-17(4-6-19)18-14-26-22(27-15-18)28-11-9-24-10-12-28/h3-6,14-16,20,24H,8-13H2,1-2H3,(H,25,29)