3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C20H21N7O3S MolecularWeight: 439.49084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC#C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H21N7O3S/c1-3-7-24-31(29,30)16-6-4-5-15(12-16)20(28)27-10-8-26(9-11-27)19-17-13-23-25(2)18(17)21-14-22-19/h1,4-6,12-14,24H,7-11H2,2H3