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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(methylamino)quinazolin-2-yl]thio]acetamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC

InChI

InChI=1S/C18H22N4OS/c1-5-18(6-2,7-3)22-15(23)12-24-17-20-14-11-9-8-10-13(14)16(19-4)21-17/h1,8-11H,6-7,12H2,2-4H3,(H,22,23)(H,19,20,21)