4-(5-bromanylpyridin-3-yl)-2-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(5-bromanylpyridin-3-yl)-2-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidine CAS Name: 4-(5-bromo-3-pyridinyl)-2-phenyl-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(5-bromopyridin-3-yl)-2-phenylpyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidine Formula: C26H24BrN5 MolecularWeight: 486.40626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3)C4=CC(=CN=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3)C4=CC(=CN=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H24BrN5/c27-23-15-22(17-28-18-23)24-16-25(30-26(29-24)21-9-5-2-6-10-21)32-13-11-31(12-14-32)19-20-7-3-1-4-8-20/h1-10,15-18H,11-14,19H2