5-[5-cyano-4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-pyrimidin-2-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-[5-cyano-4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-pyrimidin-2-yl]-2-methoxy-benzenesulfonamide Openeye Name: 5-[5-cyano-4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-6-methylsulfanyl-pyrimidin-2-yl]-2-methoxy-benzenesulfonamide CAS Name: 5-[5-cyano-4-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-6-(methylthio)-2-pyrimidinyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-[5-cyano-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanylpyrimidin-2-yl]-2-methoxybenzenesulfonamide Traditional Name: 5-[4-(citraconimidoamino)-5-cyano-6-(methylthio)pyrimidin-2-yl]-2-methoxy-benzenesulfonamide Formula: C18H16N6O5S2 MolecularWeight: 460.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC2=C(C(=NC(=N2)C3=CC(=C(C=C3)OC)S(=O)(=O)N)SC)C#N

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC2=C(C(=NC(=N2)C3=CC(=C(C=C3)OC)S(=O)(=O)N)SC)C#N

InChI

InChI=1S/C18H16N6O5S2/c1-9-6-14(25)24(18(9)26)23-16-11(8-19)17(30-3)22-15(21-16)10-4-5-12(29-2)13(7-10)31(20,27)28/h4-7H,1-3H3,(H2,20,27,28)(H,21,22,23)