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

Systemtic Name: 3-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-(butylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-(butylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-4-7-13-22-19(26)16-28-21-23-18-12-9-8-11-17(18)20(27)25(21)15-10-14-24(5-2)6-3/h8-9,11-12H,4-7,10,13-16H2,1-3H3,(H,22,26)/p+1