1-(4-ethanoylpiperazin-1-yl)-4-(4-methylsulfanylquinazolin-7-yl)oxy-butan-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-4-(4-methylsulfanylquinazolin-7-yl)oxy-butan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-4-(4-methylsulfanylquinazolin-7-yl)oxy-butan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-4-[[4-(methylthio)-7-quinazolinyl]oxy]-1-butanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-4-(4-methylsulfanylquinazolin-7-yl)oxybutan-1-one Traditional Name: 1-(4-acetylpiperazino)-4-[4-(methylthio)quinazolin-7-yl]oxy-butan-1-one Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCOC2=CC3=C(C=C2)C(=NC=N3)SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCOC2=CC3=C(C=C2)C(=NC=N3)SC

InChI

InChI=1S/C19H24N4O3S/c1-14(24)22-7-9-23(10-8-22)18(25)4-3-11-26-15-5-6-16-17(12-15)20-13-21-19(16)27-2/h5-6,12-13H,3-4,7-11H2,1-2H3