N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propyl-pentanamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propyl-pentanamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-propylpentanamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propylpentanamide Traditional Name: N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-valeramide Formula: C21H34N6OS MolecularWeight: 418.59926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC)N3CCCCC3

Isomeric SMILES

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC)N3CCCCC3

InChI

InChI=1S/C21H34N6OS/c1-4-9-16(10-5-2)20(28)22-11-14-27-19-17(15-23-27)18(24-21(25-19)29-3)26-12-7-6-8-13-26/h15-16H,4-14H2,1-3H3,(H,22,28)