3-piperidin-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide

Systemtic Name: 3-piperidin-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Openeye Name: 3-(1-piperidyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide CAS Name: 3-(1-piperidinyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propanamide IUPAC Name: 3-piperidin-1-yl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Traditional Name: 3-piperidino-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propionamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H24N6OS/c27-18(7-10-26-8-2-1-3-9-26)24-16-6-4-5-15(11-16)13-28-20-17-12-23-25-19(17)21-14-22-20/h4-6,11-12,14H,1-3,7-10,13H2,(H,24,27)(H,21,22,23,25)