2-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(7-bromo-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(7-bromo-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(7-bromo-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(7-bromo-2-keto-chromen-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)CCCO

InChI

InChI=1S/C21H17BrN2O4S/c22-14-6-7-15-13(10-19(26)28-18(15)11-14)12-29-21-23-17-5-2-1-4-16(17)20(27)24(21)8-3-9-25/h1-2,4-7,10-11,25H,3,8-9,12H2