2-[2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C25H29ClN5O2S+ MolecularWeight: 499.04806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C(C)C

InChI

InChI=1S/C25H28ClN5O2S/c1-15(2)30(16(3)4)11-12-31-24(33)18-7-5-6-8-20(18)28-25(31)34-14-22-27-21-10-9-17(26)13-19(21)23(32)29-22/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,27,29,32)/p+1