5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxy-pyrimidine

Systemtic Name: 5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxy-pyrimidine Openeye Name: 4-benzyloxy-5-bromo-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 5-bromo-2-(4-methyl-1-piperazin-4-iumyl)-4-phenylmethoxypyrimidine IUPAC Name: 5-bromo-2-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxypyrimidine Traditional Name: 4-benzoxy-5-bromo-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C16H20BrN4O+ MolecularWeight: 364.2602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C(=N2)OCC3=CC=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C(=N2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C16H19BrN4O/c1-20-7-9-21(10-8-20)16-18-11-14(17)15(19-16)22-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1