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

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethoxyphenyl)thio]-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(p-phenetylthio)ethanone Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H24N6O2S/c1-3-28-15-4-6-16(7-5-15)29-13-18(27)25-8-10-26(11-9-25)20-17-12-23-24(2)19(17)21-14-22-20/h4-7,12,14H,3,8-11,13H2,1-2H3