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

Systemtic Name: 4-methylsulfonyl-2-(propylamino)-5-(pyrimidin-2-ylamino)benzenecarbonitrile Openeye Name: 4-methylsulfonyl-2-(propylamino)-5-(pyrimidin-2-ylamino)benzonitrile CAS Name: 4-methylsulfonyl-2-(propylamino)-5-(2-pyrimidinylamino)benzonitrile IUPAC Name: 4-methylsulfonyl-2-(propylamino)-5-(pyrimidin-2-ylamino)benzonitrile Traditional Name: 4-mesyl-2-(propylamino)-5-(2-pyrimidylamino)benzonitrile Formula: C15H17N5O2S MolecularWeight: 331.39278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=C(C=C1C#N)NC2=NC=CC=N2)S(=O)(=O)C

Isomeric SMILES

CCCNC1=CC(=C(C=C1C#N)NC2=NC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C15H17N5O2S/c1-3-5-17-12-9-14(23(2,21)22)13(8-11(12)10-16)20-15-18-6-4-7-19-15/h4,6-9,17H,3,5H2,1-2H3,(H,18,19,20)