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

Systemtic Name: 2-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-diethylammonium IUPAC Name: 2-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)(C)C

InChI

InChI=1S/C20H30N4O2S/c1-6-23(7-2)12-13-24-18(26)15-10-8-9-11-16(15)21-19(24)27-14-17(25)22-20(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,22,25)/p+1