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

Systemtic Name: 2-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4OS/c1-13(2)21(14(3)4)10-11-22-17(23)15-7-5-6-8-16(15)20-18(22)24-12-9-19/h5-8,13-14H,10-12H2,1-4H3/p+1