3-[2-(cyclohexen-1-yl)ethyl]-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5)C

InChI

InChI=1S/C28H28N2O3S/c1-18-12-13-22-21(16-25(31)33-26(22)19(18)2)17-34-28-29-24-11-7-6-10-23(24)27(32)30(28)15-14-20-8-4-3-5-9-20/h6-8,10-13,16H,3-5,9,14-15,17H2,1-2H3