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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)O)O

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C21H20N2O4S/c24-17-10-9-13(11-18(17)25)19(26)12-28-21-22-16-8-4-3-7-15(16)20(27)23(21)14-5-1-2-6-14/h3-4,7-11,14,24-25H,1-2,5-6,12H2