4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C

InChI

InChI=1S/C16H17N5O3S/c1-4-9-17-25(23,24)14-7-5-13(6-8-14)15(22)20-21-16-18-11(2)10-12(3)19-16/h1,5-8,10,17H,9H2,2-3H3,(H,20,22)(H,18,19,21)