N-(2-ethyl-6-methyl-phenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)C

InChI

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