2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(6,7-dihydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 7-chloro-2-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-3-isobutyl-quinazolin-4-one Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C22H19ClN2O5S/c1-11(2)9-25-21(29)14-4-3-13(23)6-16(14)24-22(25)31-10-12-5-20(28)30-19-8-18(27)17(26)7-15(12)19/h3-8,11,26-27H,9-10H2,1-2H3