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

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 1-(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-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C19H21N5OS/c1-14-5-7-15(8-6-14)24-18-16(11-22-24)19(21-13-20-18)26-12-17(25)23-9-3-2-4-10-23/h5-8,11,13H,2-4,9-10,12H2,1H3