S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanethioate

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanethioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanethioate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanethioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanethioate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butanethioic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=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)