2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide

Systemtic Name: 2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide Openeye Name: 2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropanecarboxamide CAS Name: 2-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-cyclopropanecarboxamide IUPAC Name: 2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide Traditional Name: 2-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]cyclopropanecarboxamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1CC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H17N5OS/c1-10-5-13(10)16(23)21-12-4-2-3-11(6-12)8-24-17-14-7-20-22-15(14)18-9-19-17/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,21,23)(H,18,19,20,22)