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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[3-(2-diethylaminoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[3-(2-diethylaminoethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[3-(2-diethylaminoethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[3-(2-diethylaminoethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[3-(2-diethylaminoethyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C22H29N5O2S/c1-3-26(4-2)13-14-27-20(29)17-9-5-6-10-18(17)24-21(27)30-15-19(28)25-22(16-23)11-7-8-12-22/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3,(H,25,28)