N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Formula: C23H25N7OS MolecularWeight: 447.5559

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C23H25N7OS/c1-32-23-26-20(29-13-4-5-14-29)19-16-25-30(21(19)27-23)15-10-24-22(31)17-6-8-18(9-7-17)28-11-2-3-12-28/h2-3,6-9,11-12,16H,4-5,10,13-15H2,1H3,(H,24,31)