(E)-2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]but-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

C/C=C(\C)/C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C17H17N5OS/c1-3-11(2)16(23)21-13-6-4-5-12(7-13)9-24-17-14-8-20-22-15(14)18-10-19-17/h3-8,10H,9H2,1-2H3,(H,21,23)(H,18,19,20,22)/b11-3+