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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-imidazolylmethyl)benzamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(imidazol-1-ylmethyl)benzamide Formula: C24H28N8OS MolecularWeight: 476.59712

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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)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C24H28N8OS/c1-2-34-24-28-21(31-11-3-4-12-31)20-15-27-32(22(20)29-24)14-10-26-23(33)19-7-5-18(6-8-19)16-30-13-9-25-17-30/h5-9,13,15,17H,2-4,10-12,14,16H2,1H3,(H,26,33)