2-[4-oxidanylidene-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-oxidanylidene-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O)C(C)C

InChI

InChI=1S/C26H29N3O4S/c1-16(2)28(17(3)4)11-12-29-25(32)21-7-5-6-8-22(21)27-26(29)34-15-18-13-24(31)33-23-14-19(30)9-10-20(18)23/h5-10,13-14,16-17,30H,11-12,15H2,1-4H3/p+1