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

Systemtic Name: (Z)-3-ethoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]but-2-enamide Openeye Name: (Z)-3-ethoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]but-2-enamide CAS Name: (Z)-3-ethoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-butenamide IUPAC Name: (Z)-3-ethoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]but-2-enamide Traditional Name: (Z)-3-ethoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]but-2-enamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-3-25-12(2)7-16(24)22-14-6-4-5-13(8-14)10-26-18-15-9-21-23-17(15)19-11-20-18/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,19,20,21,23)/b12-7-