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

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]quinazolin-4-one Formula: C20H27ClN4O4S2 MolecularWeight: 487.03578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H27ClN4O4S2/c1-14(2)6-7-25-19(27)16-5-4-15(21)12-17(16)22-20(25)30-13-18(26)23-8-10-24(11-9-23)31(3,28)29/h4-5,12,14H,6-11,13H2,1-3H3