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

Systemtic Name: 3-(3-methoxyphenyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-methoxyphenyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(3-methoxyphenyl)-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide Formula: C24H28N8O2S MolecularWeight: 492.59652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCCC5

InChI

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