6-[5-(2-bromanylethanoyl)-2-ethoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[5-(2-bromanylethanoyl)-2-ethoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[5-(2-bromoacetyl)-2-ethoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-(2-bromo-1-oxoethyl)-2-ethoxyphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(2-bromoacetyl)-2-ethoxyphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(2-bromoacetyl)-2-ethoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19BrN4O3 MolecularWeight: 419.27246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)C(=O)CBr)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)C(=O)CBr)OCC

InChI

InChI=1S/C18H19BrN4O3/c1-3-7-23-17-13(10-20-23)18(25)22-16(21-17)12-8-11(14(24)9-19)5-6-15(12)26-4-2/h5-6,8,10,20H,3-4,7,9H2,1-2H3