5-[5-(2-bromanylethanoyl)-2-butoxy-pyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(2-bromanylethanoyl)-2-butoxy-pyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(2-bromoacetyl)-2-butoxy-3-pyridyl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(2-bromo-1-oxoethyl)-2-butoxy-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(2-bromoacetyl)-2-butoxypyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(2-bromoacetyl)-2-butoxy-3-pyridyl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H26BrN5O4 MolecularWeight: 492.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC)C(=O)CBr

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC)C(=O)CBr

InChI

InChI=1S/C21H26BrN5O4/c1-4-6-8-31-21-14(10-13(12-23-21)16(28)11-22)19-24-17-15(5-2)27(7-9-30-3)26-18(17)20(29)25-19/h10,12H,4-9,11H2,1-3H3,(H,24,25,29)