3-[(2S)-butan-2-yl]-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H20N2O4S/c1-3-13(2)24-21(27)17-6-4-5-7-18(17)23-22(24)29-12-14-10-20(26)28-19-11-15(25)8-9-16(14)19/h4-11,13,25H,3,12H2,1-2H3/t13-/m0/s1