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

Systemtic Name: (E)-2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pent-2-enamide Openeye Name: (E)-2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pent-2-enamide CAS Name: (E)-2-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-pentenamide IUPAC Name: (E)-2-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pent-2-enamide Traditional Name: (E)-2-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pent-2-enamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-3-5-12(2)17(24)22-14-7-4-6-13(8-14)10-25-18-15-9-21-23-16(15)19-11-20-18/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,19,20,21,23)/b12-5+