2-[[3-[2-(diethylazaniumyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[2-(diethylazaniumyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[2-(diethylammonio)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[2-(diethylammonio)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[2-(diethylazaniumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[2-(diethylammonio)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C19H31N5O2S+2 MolecularWeight: 393.54674

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)NC1=S

InChI

InChI=1S/C19H29N5O2S/c1-5-23(6-2)11-12-24-18(26)15-8-7-14(13-16(15)21-19(24)27)17(25)20-9-10-22(3)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,25)(H,21,27)/p+2