2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-pentyl-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-pentyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(4-methylpiperazin-4-ium-1-carbonyl)-3-pentyl-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-pentyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(4-methylpiperazin-4-ium-1-carbonyl)-3-pentylquinazolin-4-one Traditional Name: 3-amyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(4-methylpiperazin-4-ium-1-carbonyl)quinazolin-4-one Formula: C25H37N4O3S+ MolecularWeight: 473.65128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C25H36N4O3S/c1-6-7-8-11-29-23(32)19-10-9-18(22(31)28-14-12-27(5)13-15-28)16-20(19)26-24(29)33-17-21(30)25(2,3)4/h9-10,16H,6-8,11-15,17H2,1-5H3/p+1