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

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C

InChI

InChI=1S/C20H23N5OS/c1-14-3-5-16(6-4-14)25-19-17(11-23-25)20(22-13-21-19)27-12-18(26)24-9-7-15(2)8-10-24/h3-6,11,13,15H,7-10,12H2,1-2H3