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

Systemtic Name: (2R)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenyl-butanamide Openeye Name: (2R)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenyl-butanamide CAS Name: (2R)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenylbutanamide IUPAC Name: (2R)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenylbutanamide Traditional Name: (2R)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenyl-butyramide Formula: C22H28N6OS MolecularWeight: 424.56232

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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)N4CCCC4

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C22H28N6OS/c1-3-17(16-9-5-4-6-10-16)21(29)23-11-14-28-20-18(15-24-28)19(25-22(26-20)30-2)27-12-7-8-13-27/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3,(H,23,29)/t17-/m1/s1