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

Systemtic Name: diethyl-[3-[2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[4-keto-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-3-yl]propyl]ammonium Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(31)21-9-6-7-10-22(21)27-26(29)33-17-19-16-24(30)32-23-15-18(3)11-12-20(19)23/h6-7,9-12,15-16H,4-5,8,13-14,17H2,1-3H3/p+1