N-(1-cyanocyclohexyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C20H24N4O3S/c1-27-12-11-24-18(26)15-7-3-4-8-16(15)22-19(24)28-13-17(25)23-20(14-21)9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,23,25)