N-(4-phenylmethoxyphenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-phenylmethoxyphenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c33-25(31-22-11-13-23(14-12-22)34-17-21-9-5-2-6-10-21)18-35-27-24-15-30-32(26(24)28-19-29-27)16-20-7-3-1-4-8-20/h1-15,19H,16-18H2,(H,31,33)