N-(1-cyanocyclopentyl)-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[3-(6-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[3-(6-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[3-(6-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[4-keto-3-(6-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C22H21N5O2S/c1-15-7-6-10-18(24-15)27-20(29)16-8-2-3-9-17(16)25-21(27)30-13-19(28)26-22(14-23)11-4-5-12-22/h2-3,6-10H,4-5,11-13H2,1H3,(H,26,28)