2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-3-(2-furfuryl)quinazolin-4-one Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)O)O)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)O)O)CC4=CC=CO4

InChI

InChI=1S/C21H16N2O5S/c24-17-8-7-13(10-18(17)25)19(26)12-29-21-22-16-6-2-1-5-15(16)20(27)23(21)11-14-4-3-9-28-14/h1-10,24-25H,11-12H2