1-(4-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide Openeye Name: 1-(p-tolyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropanecarboxamide CAS Name: 1-(4-methylphenyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide Traditional Name: 1-(p-tolyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]cyclopropanecarboxamide Formula: C23H21N5OS MolecularWeight: 415.51074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H21N5OS/c1-15-5-7-17(8-6-15)23(9-10-23)22(29)27-18-4-2-3-16(11-18)13-30-21-19-12-26-28-20(19)24-14-25-21/h2-8,11-12,14H,9-10,13H2,1H3,(H,27,29)(H,24,25,26,28)