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

Systemtic Name: 1-naphthalen-2-yl-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-(2-naphthyl)ethanone CAS Name: 1-(2-naphthalenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]ethanone IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-naphthalen-2-ylethanone Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(2-naphthyl)ethanone Formula: C24H18N4OS MolecularWeight: 410.49092

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H18N4OS/c29-22(20-11-10-18-8-4-5-9-19(18)12-20)15-30-24-21-13-27-28(23(21)25-16-26-24)14-17-6-2-1-3-7-17/h1-13,16H,14-15H2