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

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C25H25N3O5S/c29-18-6-7-19-17(14-23(30)33-22(19)15-18)16-34-25-26-21-5-2-1-4-20(21)24(31)28(25)9-3-8-27-10-12-32-13-11-27/h1-2,4-7,14-15,29H,3,8-13,16H2