2,3,4-trimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide

Systemtic Name: 2,3,4-trimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide Openeye Name: 2,3,4-trimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentanecarboxamide CAS Name: 2,3,4-trimethyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-cyclopentanecarboxamide IUPAC Name: 2,3,4-trimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide Traditional Name: 2,3,4-trimethyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]cyclopentanecarboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C1C)C)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1CC(C(C1C)C)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H25N5OS/c1-12-7-17(14(3)13(12)2)20(27)25-16-6-4-5-15(8-16)10-28-21-18-9-24-26-19(18)22-11-23-21/h4-6,8-9,11-14,17H,7,10H2,1-3H3,(H,25,27)(H,22,23,24,26)