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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[4-(1-phenylethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-[4-(1-phenylethyl)piperazino]ethanone Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H24N6OS/c1-15(16-6-4-3-5-7-16)25-8-10-26(11-9-25)18(27)13-28-20-17-12-23-24(2)19(17)21-14-22-20/h3-7,12,14-15H,8-11,13H2,1-2H3