N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-3-carboxamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-3-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-3-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-3-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-3-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Formula: C21H23N7OS MolecularWeight: 421.51862

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CNC4=CC=CC=C43)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CNC4=CC=CC=C43)C(=N1)N5CCCC5

InChI

InChI=1S/C21H23N7OS/c1-30-21-25-18(27-9-4-5-10-27)16-13-24-28(19(16)26-21)11-8-22-20(29)15-12-23-17-7-3-2-6-14(15)17/h2-3,6-7,12-13,23H,4-5,8-11H2,1H3,(H,22,29)