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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-14-4-3-9-24(11-14)18(26)12-28-20-17-10-23-25(19(17)21-13-22-20)15-5-7-16(27-2)8-6-15/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3