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

Systemtic Name: 3-(4-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Openeye Name: 3-(p-tolyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide CAS Name: 3-(4-methylphenyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Traditional Name: 3-(p-tolyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propionamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C22H21N5OS/c1-15-5-7-16(8-6-15)9-10-20(28)26-18-4-2-3-17(11-18)13-29-22-19-12-25-27-21(19)23-14-24-22/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,28)(H,23,24,25,27)