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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-naphthylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[4-(1-naphthalenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-[4-(1-naphthylmethyl)piperazino]ethanone Formula: C23H24N6OS MolecularWeight: 432.54126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H24N6OS/c1-27-22-20(13-26-27)23(25-16-24-22)31-15-21(30)29-11-9-28(10-12-29)14-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16H,9-12,14-15H2,1H3