N-(1-cyanocyclohexyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H27N5O2S/c23-16-22(8-4-1-5-9-22)26-20(28)15-30-21-17-6-2-3-7-18(17)24-19(25-21)14-27-10-12-29-13-11-27/h2-3,6-7H,1,4-5,8-15H2,(H,26,28)