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

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 1-(3-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-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 1-(3-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:

CC1CCCN(C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C

InChI

InChI=1S/C20H23N5OS/c1-14-5-7-16(8-6-14)25-19-17(10-23-25)20(22-13-21-19)27-12-18(26)24-9-3-4-15(2)11-24/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3