2-[4-oxidanylidene-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[4-oxo-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[4-oxo-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CN3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CN3)C(C)C

InChI

InChI=1S/C22H28N4O2S/c1-15(2)25(16(3)4)12-13-26-21(28)17-8-5-6-9-18(17)24-22(26)29-14-20(27)19-10-7-11-23-19/h5-11,15-16,23H,12-14H2,1-4H3/p+1