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

Systemtic Name: 2-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-(2-methoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[(2-keto-2-methoxy-ethyl)thio]quinazolin-3-yl]ethyl]ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-13(2)21(14(3)4)10-11-22-18(24)15-8-6-7-9-16(15)20-19(22)26-12-17(23)25-5/h6-9,13-14H,10-12H2,1-5H3/p+1