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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)CBr)C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)CBr)C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

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