diethyl-[3-[4-oxidanylidene-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-3-yl]propyl]azanium

Systemtic Name: diethyl-[3-[4-oxidanylidene-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-keto-quinazolin-3-yl]propyl]ammonium Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C25H27N3O4S/c1-3-27(4-2)12-7-13-28-24(31)20-8-5-6-9-21(20)26-25(28)33-16-17-14-23(30)32-22-15-18(29)10-11-19(17)22/h5-6,8-11,14-15,29H,3-4,7,12-13,16H2,1-2H3/p+1