2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(2-thienylsulfonylamino)phenyl]acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(2-thienylsulfonylamino)phenyl]acetamide Formula: C18H16N6O4S2 MolecularWeight: 444.48744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H16N6O4S2/c1-23-17-12(9-20-23)18(26)24(11-19-17)10-15(25)21-13-5-2-3-6-14(13)22-30(27,28)16-7-4-8-29-16/h2-9,11,22H,10H2,1H3,(H,21,25)