2-[6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl-diethyl-ammonium CAS Name: 2-[[6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-oxohexyl]amino]ethyl-diethylammonium IUPAC Name: 2-[6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl-diethylazanium Traditional Name: 2-[6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl-diethyl-ammonium Formula: C20H30BrN4O2S+ MolecularWeight: 470.4468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C20H29BrN4O2S/c1-3-24(4-2)13-11-22-18(26)8-6-5-7-12-25-19(27)16-14-15(21)9-10-17(16)23-20(25)28/h9-10,14H,3-8,11-13H2,1-2H3,(H,22,26)(H,23,28)/p+1