2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-hexylquinazolin-4-one Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-3-hexyl-quinazolin-4-one Formula: C26H31FN4O2S MolecularWeight: 482.613343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O2S/c1-2-3-4-7-14-31-25(33)22-8-5-6-9-23(22)28-26(31)34-19-24(32)30-17-15-29(16-18-30)21-12-10-20(27)11-13-21/h5-6,8-13H,2-4,7,14-19H2,1H3