N-[(4-methylphenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-15-7-9-16(10-8-15)11-22-19(27)13-28-21-18-12-25-26(20(18)23-14-24-21)17-5-3-2-4-6-17/h2-10,12,14H,11,13H2,1H3,(H,22,27)