5-(5-cyano-4-diazanyl-6-methylsulfanyl-pyrimidin-2-yl)-2-methoxy-benzenesulfonamide

Systemtic Name: 5-(5-cyano-4-diazanyl-6-methylsulfanyl-pyrimidin-2-yl)-2-methoxy-benzenesulfonamide Openeye Name: 5-(5-cyano-4-hydrazino-6-methylsulfanyl-pyrimidin-2-yl)-2-methoxy-benzenesulfonamide CAS Name: 5-[5-cyano-4-hydrazinyl-6-(methylthio)-2-pyrimidinyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-(5-cyano-4-hydrazinyl-6-methylsulfanylpyrimidin-2-yl)-2-methoxybenzenesulfonamide Traditional Name: 5-[5-cyano-4-hydrazino-6-(methylthio)pyrimidin-2-yl]-2-methoxy-benzenesulfonamide Formula: C13H14N6O3S2 MolecularWeight: 366.41866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)NN)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)NN)S(=O)(=O)N

InChI

InChI=1S/C13H14N6O3S2/c1-22-9-4-3-7(5-10(9)24(16,20)21)11-17-12(19-15)8(6-14)13(18-11)23-2/h3-5H,15H2,1-2H3,(H2,16,20,21)(H,17,18,19)