3-[2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C25H32ClN4O2S+ MolecularWeight: 488.06518

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C25H31ClN4O2S/c1-5-29(6-2)12-9-13-30-24(32)19-10-7-8-11-21(19)27-25(30)33-16-22(31)28-23-18(4)14-17(3)15-20(23)26/h7-8,10-11,14-15H,5-6,9,12-13,16H2,1-4H3,(H,28,31)/p+1