N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C20H28N8O2S MolecularWeight: 444.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CN(N=C3OC)C)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CN(N=C3OC)C)C(=N1)N4CCCCC4

InChI

InChI=1S/C20H28N8O2S/c1-4-31-20-23-16(27-9-6-5-7-10-27)14-12-22-28(17(14)24-20)11-8-21-18(29)15-13-26(2)25-19(15)30-3/h12-13H,4-11H2,1-3H3,(H,21,29)