2-[4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-1-oxobutyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[4-(1,3-diketobenzo[de]isoquinolin-2-yl)butanoylthio]-6-methyl-pyrimidin-4-olate Formula: C21H16N3O4S- MolecularWeight: 406.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-12-11-16(25)23-21(22-12)29-17(26)9-4-10-24-19(27)14-7-2-5-13-6-3-8-15(18(13)14)20(24)28/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,23,25)/p-1