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

Systemtic Name: 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl]ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C21H32N4O2S/c1-14(2)22-19(26)13-28-21-23-18-10-8-7-9-17(18)20(27)25(21)12-11-24(15(3)4)16(5)6/h7-10,14-16H,11-13H2,1-6H3,(H,22,26)/p+1