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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C13H18N6O3S2 MolecularWeight: 370.45042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C13H18N6O3S2/c1-17-12-10(7-16-17)13(15-9-14-12)23-8-11(20)18-3-5-19(6-4-18)24(2,21)22/h7,9H,3-6,8H2,1-2H3