N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(imidazol-1-ylmethyl)benzamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-imidazolylmethyl)benzamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(imidazol-1-ylmethyl)benzamide Formula: C25H30N8OS MolecularWeight: 490.6237

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCCC5

InChI

InChI=1S/C25H30N8OS/c1-2-35-25-29-22(32-12-4-3-5-13-32)21-16-28-33(23(21)30-25)15-11-27-24(34)20-8-6-19(7-9-20)17-31-14-10-26-18-31/h6-10,14,16,18H,2-5,11-13,15,17H2,1H3,(H,27,34)