2-(2-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide

Systemtic Name: 2-(2-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(o-tolyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(2-methylphenyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butanamide IUPAC Name: 2-(2-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(o-tolyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]butyramide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CCC(C1=CC=CC=C1C)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C23H23N5OS/c1-3-18(19-10-5-4-7-15(19)2)22(29)27-17-9-6-8-16(11-17)13-30-23-20-12-26-28-21(20)24-14-25-23/h4-12,14,18H,3,13H2,1-2H3,(H,27,29)(H,24,25,26,28)