5-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(3-bromo-4-methoxyphenyl)methyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-bromo-4-methoxy-benzyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H13BrN4O2 MolecularWeight: 349.18262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C14H13BrN4O2/c1-18-13-10(6-17-18)14(20)19(8-16-13)7-9-3-4-12(21-2)11(15)5-9/h3-6,8H,7H2,1-2H3