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

Systemtic Name: 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(6,7-dihydroxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]quinazolin-4-one Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

InChI

InChI=1S/C25H18N2O5S/c28-20-11-18-16(10-23(30)32-22(18)12-21(20)29)14-33-25-26-19-9-5-4-8-17(19)24(31)27(25)13-15-6-2-1-3-7-15/h1-12,28-29H,13-14H2