3-[2-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C23H27N3O4S/c1-3-25(4-2)12-7-13-26-22(30)17-8-5-6-9-19(17)24-23(26)31-15-21(29)18-11-10-16(27)14-20(18)28/h5-6,8-11,14,27-28H,3-4,7,12-13,15H2,1-2H3/p+1