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

Systemtic Name: 3-hexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-hexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-hexyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-hexyl-2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]quinazolin-4-one Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S2/c1-3-4-5-8-11-25-20(27)17-9-6-7-10-18(17)22-21(25)30-16-19(26)23-12-14-24(15-13-23)31(2,28)29/h6-7,9-10H,3-5,8,11-16H2,1-2H3