N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]-N-p-phenetyl-acetamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C26H29N5O3S/c1-2-34-21-10-8-20(9-11-21)31(13-5-12-27)25(32)19-35-26-22-6-3-4-7-23(22)28-24(29-26)18-30-14-16-33-17-15-30/h3-4,6-11H,2,5,13-19H2,1H3