(2S)-N-(cyanomethyl)-4-methyl-2-[(4-pyrimidin-5-ylthiophen-3-yl)amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(4-pyrimidin-5-ylthiophen-3-yl)amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(4-pyrimidin-5-yl-3-thienyl)amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-(5-pyrimidinyl)-3-thiophenyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[(4-pyrimidin-5-ylthiophen-3-yl)amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-(5-pyrimidyl)-3-thienyl]amino]valeramide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CN=CN=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=CSC=C1C2=CN=CN=C2

InChI

InChI=1S/C16H19N5OS/c1-11(2)5-14(16(22)20-4-3-17)21-15-9-23-8-13(15)12-6-18-10-19-7-12/h6-11,14,21H,4-5H2,1-2H3,(H,20,22)/t14-/m0/s1