2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=C(C=C3)F)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=C(C=C3)F)CCCO

InChI

InChI=1S/C21H21FN2O3S/c22-16-10-8-15(9-11-16)19(26)7-3-14-28-21-23-18-6-2-1-5-17(18)20(27)24(21)12-4-13-25/h1-2,5-6,8-11,25H,3-4,7,12-14H2