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

Systemtic Name: 1-phenyl-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-phenyl-ethanone CAS Name: 1-phenyl-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]ethanone IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-phenyl-ethanone Formula: C20H16N4OS MolecularWeight: 360.43224

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4OS/c25-18(16-9-5-2-6-10-16)13-26-20-17-11-23-24(19(17)21-14-22-20)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2