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

Systemtic Name: 2-[4-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-3-yl]ethyl]ammonium Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3)C(C)C

InChI

InChI=1S/C25H29N5O2S/c1-16(2)29(17(3)4)13-14-30-24(32)19-10-6-8-12-21(19)27-25(30)33-15-22-26-20-11-7-5-9-18(20)23(31)28-22/h5-12,16-17H,13-15H2,1-4H3,(H,26,28,31)/p+1