N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CC=N2)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CC=N2)C3CCCC3)C

InChI

InChI=1S/C18H21N5OS/c1-12-13(2)23(14-6-3-4-7-14)17(15(12)10-19)22-16(24)11-25-18-20-8-5-9-21-18/h5,8-9,14H,3-4,6-7,11H2,1-2H3,(H,22,24)