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

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-[4-(m-tolyl)piperazino]ethanone Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C19H22N6OS/c1-14-4-3-5-15(10-14)24-6-8-25(9-7-24)17(26)12-27-19-16-11-22-23(2)18(16)20-13-21-19/h3-5,10-11,13H,6-9,12H2,1-2H3