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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenoxybenzamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxybenzamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C26H28N6O2S/c1-2-35-26-29-23(31-15-8-9-16-31)21-18-28-32(24(21)30-26)17-14-27-25(33)20-12-6-7-13-22(20)34-19-10-4-3-5-11-19/h3-7,10-13,18H,2,8-9,14-17H2,1H3,(H,27,33)