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

Systemtic Name: 2-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CC3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CC3)C(C)C

InChI

InChI=1S/C21H30N4O2S/c1-14(2)24(15(3)4)11-12-25-20(27)17-7-5-6-8-18(17)23-21(25)28-13-19(26)22-16-9-10-16/h5-8,14-16H,9-13H2,1-4H3,(H,22,26)/p+1