3-[[2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[[2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1-oxoethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[[2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[2-(3-cyano-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C21H23N7O5S MolecularWeight: 485.51622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CC2=C(N=C3C(=CNN3C2=O)C#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CC2=C(N=C3C(=CNN3C2=O)C#N)C

InChI

InChI=1S/C21H23N7O5S/c1-4-27(5-2)34(32,33)16-8-6-7-14(9-16)20(30)26-25-18(29)10-17-13(3)24-19-15(11-22)12-23-28(19)21(17)31/h6-9,12,23H,4-5,10H2,1-3H3,(H,25,29)(H,26,30)