2-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]ethyl-diisopropyl-ammonium Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C23H36N4O2S/c1-16(2)11-13-27-22(29)19-9-7-8-10-20(19)25-23(27)30-15-21(28)24-12-14-26(17(3)4)18(5)6/h7-10,16-18H,11-15H2,1-6H3,(H,24,28)/p+1