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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-naphthalen-2-yl-ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2-naphthyl)ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-naphthalen-2-ylethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(2-naphthyl)ethanone Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H14N4OS/c1-22-17-15(9-21-22)18(20-11-19-17)24-10-16(23)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11H,10H2,1H3