2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-[2-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: N-[2-(2-ketopyrrolidino)phenyl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3N4CCCC4=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3N4CCCC4=O

InChI

InChI=1S/C18H18N6O2S/c1-23-17-12(9-21-23)18(20-11-19-17)27-10-15(25)22-13-5-2-3-6-14(13)24-8-4-7-16(24)26/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,22,25)