(2R)-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenyl-butanamide

Systemtic Name: (2R)-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenyl-butanamide Openeye Name: (2R)-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenyl-butanamide CAS Name: (2R)-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenylbutanamide IUPAC Name: (2R)-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenylbutanamide Traditional Name: (2R)-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenyl-butyramide Formula: C23H30N6OS MolecularWeight: 438.5889

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

InChI

InChI=1S/C23H30N6OS/c1-3-18(17-10-6-4-7-11-17)22(30)24-12-15-29-21-19(16-25-29)20(26-23(27-21)31-2)28-13-8-5-9-14-28/h4,6-7,10-11,16,18H,3,5,8-9,12-15H2,1-2H3,(H,24,30)/t18-/m1/s1