3-(3-methylbutyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isopentyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-isoamyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4O2S/c1-14(2)11-12-26-21(28)16-8-4-6-10-18(16)24-22(26)29-13-19-23-17-9-5-3-7-15(17)20(27)25-19/h3-10,14H,11-13H2,1-2H3,(H,23,25,27)