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

Systemtic Name: 3-(3-methoxyphenyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-methoxyphenyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(3-methoxyphenyl)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide Formula: C23H26N8O2S MolecularWeight: 478.56994

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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)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCC5

InChI

InChI=1S/C23H26N8O2S/c1-33-16-7-5-6-15(12-16)18-13-19(29-28-18)22(32)24-8-11-31-21-17(14-25-31)20(26-23(27-21)34-2)30-9-3-4-10-30/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,24,32)(H,28,29)