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

Systemtic Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-14-7-9-24(10-8-14)18(26)12-28-20-17-11-23-25(19(17)21-13-22-20)15-3-5-16(27-2)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3