5-[[4-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione

Systemtic Name: 5-[[4-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione Openeye Name: 5-[[4-[(3-methyl-4-oxo-quinazolin-2-yl)methoxy]phenyl]methyl]tetrahydrothiophene-2,4-dione CAS Name: 5-[[4-[(3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]thiolane-2,4-dione IUPAC Name: 5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione Traditional Name: 5-[4-[(4-keto-3-methyl-quinazolin-2-yl)methoxy]benzyl]tetrahydrothiophene-2,4-quinone Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)CC(=O)S4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)CC(=O)S4

InChI

InChI=1S/C21H18N2O4S/c1-23-19(22-16-5-3-2-4-15(16)21(23)26)12-27-14-8-6-13(7-9-14)10-18-17(24)11-20(25)28-18/h2-9,18H,10-12H2,1H3