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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propyl-pentanamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propyl-pentanamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-propylpentanamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propylpentanamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-valeramide Formula: C20H32N6OS MolecularWeight: 404.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC)N3CCCC3

Isomeric SMILES

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC)N3CCCC3

InChI

InChI=1S/C20H32N6OS/c1-4-8-15(9-5-2)19(27)21-10-13-26-18-16(14-22-26)17(23-20(24-18)28-3)25-11-6-7-12-25/h14-15H,4-13H2,1-3H3,(H,21,27)