3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5

InChI

InChI=1S/C27H26N2O3S/c1-18-11-12-21-20(16-25(30)32-24(21)15-18)17-33-27-28-23-10-6-5-9-22(23)26(31)29(27)14-13-19-7-3-2-4-8-19/h5-7,9-12,15-16H,2-4,8,13-14,17H2,1H3