3-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-19(2,3)21-16(24)13-26-18-20-15-10-7-6-9-14(15)17(25)23(18)12-8-11-22(4)5/h6-7,9-10H,8,11-13H2,1-5H3,(H,21,24)/p+1