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

Systemtic Name: 3-[5-cyano-4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-pyrimidin-2-yl]benzenesulfonamide Openeye Name: 3-[5-cyano-4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-6-methylsulfanyl-pyrimidin-2-yl]benzenesulfonamide CAS Name: 3-[5-cyano-4-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-6-(methylthio)-2-pyrimidinyl]benzenesulfonamide IUPAC Name: 3-[5-cyano-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanylpyrimidin-2-yl]benzenesulfonamide Traditional Name: 3-[4-(citraconimidoamino)-5-cyano-6-(methylthio)pyrimidin-2-yl]benzenesulfonamide Formula: C17H14N6O4S2 MolecularWeight: 430.46086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O4S2/c1-9-6-13(24)23(17(9)25)22-15-12(8-18)16(28-2)21-14(20-15)10-4-3-5-11(7-10)29(19,26)27/h3-7H,1-2H3,(H2,19,26,27)(H,20,21,22)