2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C22H20N2O4S/c1-3-10-24-21(27)16-6-4-5-7-17(16)23-22(24)29-12-14-11-19(26)28-20-13(2)18(25)9-8-15(14)20/h4-9,11,25H,3,10,12H2,1-2H3