6-(5-bromanylpyridin-3-yl)-2-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylpyridin-3-yl)-2-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidin-4-amine Openeye Name: N-(1-benzyl-4-piperidyl)-6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-amine CAS Name: 6-(5-bromo-3-pyridinyl)-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-(5-bromopyridin-3-yl)-2-phenylpyrimidin-4-amine Traditional Name: (1-benzyl-4-piperidyl)-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]amine Formula: C27H26BrN5 MolecularWeight: 500.43284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26BrN5/c28-23-15-22(17-29-18-23)25-16-26(32-27(31-25)21-9-5-2-6-10-21)30-24-11-13-33(14-12-24)19-20-7-3-1-4-8-20/h1-10,15-18,24H,11-14,19H2,(H,30,31,32)