2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C)O

InChI

InChI=1S/C26H21N3O4S/c1-3-16-10-19-17(11-24(31)33-22(19)12-21(16)30)14-34-26-28-20-7-5-4-6-18(20)25(32)29(26)23-9-8-15(2)13-27-23/h4-13,30H,3,14H2,1-2H3