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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H24N4O2S/c30-23-18-10-4-6-12-20(18)26-22(28-23)16-32-25-27-21-13-7-5-11-19(21)24(31)29(25)15-14-17-8-2-1-3-9-17/h4-8,10-13H,1-3,9,14-16H2,(H,26,28,30)