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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]quinazolin-4-one Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5

InChI

InChI=1S/C26H26N4O2S/c1-17(23-27-21-13-7-5-11-19(21)24(31)29-23)33-26-28-22-14-8-6-12-20(22)25(32)30(26)16-15-18-9-3-2-4-10-18/h5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,27,29,31)