N-(3-ethylpent-1-yn-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

InChI

InChI=1S/C22H28N4O2S/c1-4-22(5-2,6-3)25-20(27)16-29-21-17-9-7-8-10-18(17)23-19(24-21)15-26-11-13-28-14-12-26/h1,7-10H,5-6,11-16H2,2-3H3,(H,25,27)