1-(4-ethanoylpiperazin-1-yl)-2-(4-methylsulfanylquinazolin-7-yl)oxy-ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(4-methylsulfanylquinazolin-7-yl)oxy-ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(4-methylsulfanylquinazolin-7-yl)oxy-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-(methylthio)-7-quinazolinyl]oxy]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(4-methylsulfanylquinazolin-7-yl)oxyethanone Traditional Name: 1-(4-acetylpiperazino)-2-[4-(methylthio)quinazolin-7-yl]oxy-ethanone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=NC=N3)SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=NC=N3)SC

InChI

InChI=1S/C17H20N4O3S/c1-12(22)20-5-7-21(8-6-20)16(23)10-24-13-3-4-14-15(9-13)18-11-19-17(14)25-2/h3-4,9,11H,5-8,10H2,1-2H3