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

Systemtic Name: 3-[2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(diisopropylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

Isomeric SMILES

CC(C)N(C(C)C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

InChI

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