2-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-6-11-22-19(26)14-28-21-23-18-10-8-7-9-17(18)20(27)25(21)13-12-24(15(2)3)16(4)5/h1,7-10,15-16H,11-14H2,2-5H3,(H,22,26)/p+1