5-[5-(2-bromanylethanoyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(2-bromanylethanoyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(2-bromoacetyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(2-bromo-1-oxoethyl)-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(2-bromoacetyl)-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(2-bromoacetyl)-2-propoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H23BrN4O3 MolecularWeight: 447.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)CBr)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)CBr)OCCC)C

InChI

InChI=1S/C20H23BrN4O3/c1-4-6-14-17-18(25(3)24-14)20(27)23-19(22-17)13-10-12(15(26)11-21)7-8-16(13)28-9-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,22,23,27)