1-ethanoyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-ethanoyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]isonipecotamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H22N6O2S/c1-13(27)26-7-5-15(6-8-26)19(28)24-16-4-2-3-14(9-16)11-29-20-17-10-23-25-18(17)21-12-22-20/h2-4,9-10,12,15H,5-8,11H2,1H3,(H,24,28)(H,21,22,23,25)