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

Systemtic Name: 2-[4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-(2-isopropoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[4-oxo-2-[(2-oxo-2-propan-2-yloxyethyl)thio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(2-isopropoxy-2-keto-ethyl)thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-14(2)23(15(3)4)11-12-24-20(26)17-9-7-8-10-18(17)22-21(24)28-13-19(25)27-16(5)6/h7-10,14-16H,11-13H2,1-6H3/p+1