N-(3-chloranyl-4-cyano-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-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=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

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

InChI

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