5-[5-cyano-4-(cyclopropylamino)-6-methylsulfanyl-pyrimidin-2-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-[5-cyano-4-(cyclopropylamino)-6-methylsulfanyl-pyrimidin-2-yl]-2-methoxy-benzenesulfonamide Openeye Name: 5-[5-cyano-4-(cyclopropylamino)-6-methylsulfanyl-pyrimidin-2-yl]-2-methoxy-benzenesulfonamide CAS Name: 5-[5-cyano-4-(cyclopropylamino)-6-(methylthio)-2-pyrimidinyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-[5-cyano-4-(cyclopropylamino)-6-methylsulfanylpyrimidin-2-yl]-2-methoxybenzenesulfonamide Traditional Name: 5-[5-cyano-4-(cyclopropylamino)-6-(methylthio)pyrimidin-2-yl]-2-methoxy-benzenesulfonamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)NC3CC3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)NC3CC3)S(=O)(=O)N

InChI

InChI=1S/C16H17N5O3S2/c1-24-12-6-3-9(7-13(12)26(18,22)23)14-20-15(19-10-4-5-10)11(8-17)16(21-14)25-2/h3,6-7,10H,4-5H2,1-2H3,(H2,18,22,23)(H,19,20,21)