5-bromanyl-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 5-bromanyl-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 5-bromo-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]pyrimidine CAS Name: 5-bromo-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 5-bromo-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 5-bromo-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]pyrimidine Formula: C16H18BrFN4O MolecularWeight: 381.242723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C=N3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C=N3)Br)F

InChI

InChI=1S/C16H18BrFN4O/c1-23-15-3-2-12(8-14(15)18)11-21-4-6-22(7-5-21)16-19-9-13(17)10-20-16/h2-3,8-10H,4-7,11H2,1H3