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

Systemtic Name: 3-hexyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-hexyl-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-hexyl-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-hexyl-2-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H31N5O2S/c1-2-3-4-9-14-30-24(32)20-10-5-6-11-21(20)27-25(30)33-19-23(31)29-17-15-28(16-18-29)22-12-7-8-13-26-22/h5-8,10-13H,2-4,9,14-19H2,1H3