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

Systemtic Name: N-phenethyl-N-(phenylmethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-benzyl-N-phenethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-phenethyl-N-(phenylmethyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-benzyl-N-phenethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-benzyl-N-phenethyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C28H25N5OS MolecularWeight: 479.596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C28H25N5OS/c34-26(32(19-23-12-6-2-7-13-23)17-16-22-10-4-1-5-11-22)20-35-28-25-18-31-33(27(25)29-21-30-28)24-14-8-3-9-15-24/h1-15,18,21H,16-17,19-20H2