N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C24H28N8O2S MolecularWeight: 492.59652

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC(=CC=C4)OC)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC(=CC=C4)OC)C(=N1)N5CCCC5

InChI

InChI=1S/C24H28N8O2S/c1-3-35-24-27-21(31-10-4-5-11-31)18-15-26-32(22(18)28-24)12-9-25-23(33)20-14-19(29-30-20)16-7-6-8-17(13-16)34-2/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,25,33)(H,29,30)