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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H29N5O2S/c1-26(2)13-8-14-27-20(29)17-9-4-5-10-18(17)24-21(27)30-15-19(28)25-22(16-23)11-6-3-7-12-22/h4-5,9-10H,3,6-8,11-15H2,1-2H3,(H,25,28)