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

Systemtic Name: 3-methoxy-1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 3-methoxy-1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazole-4-carboxamide CAS Name: 3-methoxy-1-methyl-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-methoxy-1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 3-methoxy-1-methyl-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazole-4-carboxamide Formula: C18H24N8O2S MolecularWeight: 416.50056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C18H24N8O2S/c1-24-11-13(17(23-24)28-2)16(27)19-6-9-26-15-12(10-20-26)14(21-18(22-15)29-3)25-7-4-5-8-25/h10-11H,4-9H2,1-3H3,(H,19,27)