3-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutan-2-one

Systemtic Name: 3-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutan-2-one Openeye Name: 3-[2-(morpholinomethyl)quinazolin-4-yl]sulfanylbutan-2-one CAS Name: 3-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]-2-butanone IUPAC Name: 3-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutan-2-one Traditional Name: 3-[[2-(morpholinomethyl)quinazolin-4-yl]thio]butan-2-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

Isomeric SMILES

CC(C(=O)C)SC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

InChI

InChI=1S/C17H21N3O2S/c1-12(21)13(2)23-17-14-5-3-4-6-15(14)18-16(19-17)11-20-7-9-22-10-8-20/h3-6,13H,7-11H2,1-2H3