3-[2-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]ethyl]-6-oxidanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]ethyl]-6-oxidanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]ethyl]-6-hydroxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]ethyl]-6-hydroxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-6-hydroxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]ethyl]-6-hydroxy-2-thioxo-1H-quinazolin-4-one Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4=C(C=CC(=C4)O)NC3=S

Isomeric SMILES

C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4=C(C=CC(=C4)O)NC3=S

InChI

InChI=1S/C22H24FN3O3S/c23-16-3-1-14(2-4-16)20(28)15-7-9-25(10-8-15)11-12-26-21(29)18-13-17(27)5-6-19(18)24-22(26)30/h1-6,13,15,20,27-28H,7-12H2,(H,24,30)