4-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrrol-1-yl-thiazole-5-carboxamide CAS Name: 4-methyl-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(1-pyrrolyl)-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrrol-1-yl-thiazole-5-carboxamide Formula: C22H26N8OS2 MolecularWeight: 482.62484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCCC5

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCCC5

InChI

InChI=1S/C22H26N8OS2/c1-15-17(33-22(25-15)29-11-6-7-12-29)20(31)23-8-13-30-19-16(14-24-30)18(26-21(27-19)32-2)28-9-4-3-5-10-28/h6-7,11-12,14H,3-5,8-10,13H2,1-2H3,(H,23,31)