2-(methylamino)-4-methylsulfonyl-5-(pyrimidin-2-ylamino)benzenecarbonitrile

Systemtic Name: 2-(methylamino)-4-methylsulfonyl-5-(pyrimidin-2-ylamino)benzenecarbonitrile Openeye Name: 2-(methylamino)-4-methylsulfonyl-5-(pyrimidin-2-ylamino)benzonitrile CAS Name: 2-(methylamino)-4-methylsulfonyl-5-(2-pyrimidinylamino)benzonitrile IUPAC Name: 2-(methylamino)-4-methylsulfonyl-5-(pyrimidin-2-ylamino)benzonitrile Traditional Name: 4-mesyl-2-(methylamino)-5-(2-pyrimidylamino)benzonitrile Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1C#N)NC2=NC=CC=N2)S(=O)(=O)C

Isomeric SMILES

CNC1=CC(=C(C=C1C#N)NC2=NC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C13H13N5O2S/c1-15-10-7-12(21(2,19)20)11(6-9(10)8-14)18-13-16-4-3-5-17-13/h3-7,15H,1-2H3,(H,16,17,18)