2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-phenylphenyl)ethanone Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone CAS Name: 2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(4-phenylphenyl)ethanone Formula: C26H20N4OS MolecularWeight: 436.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N4OS/c31-24(22-13-11-21(12-14-22)20-9-5-2-6-10-20)17-32-26-23-15-29-30(25(23)27-18-28-26)16-19-7-3-1-4-8-19/h1-15,18H,16-17H2