N-(5-chloranyl-2-cyano-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C22H20ClN5O2S/c23-16-6-5-15(12-24)19(11-16)26-21(29)14-31-22-17-3-1-2-4-18(17)25-20(27-22)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13-14H2,(H,26,29)