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

Systemtic Name: 2,5-dimethyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]furan-3-carboxamide Openeye Name: 2,5-dimethyl-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-3-carboxamide CAS Name: 2,5-dimethyl-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-furancarboxamide IUPAC Name: 2,5-dimethyl-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]furan-3-carboxamide Traditional Name: 2,5-dimethyl-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-furamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

InChI

InChI=1S/C20H26N6O2S/c1-13-11-15(14(2)28-13)19(27)21-7-10-26-18-16(12-22-26)17(23-20(24-18)29-3)25-8-5-4-6-9-25/h11-12H,4-10H2,1-3H3,(H,21,27)