N-(3-bromophenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-[6-[4-(3-phenoxybenzyl)piperazino]pyrimidin-4-yl]amine Formula: C27H26BrN5O MolecularWeight: 516.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C27H26BrN5O/c28-22-7-5-8-23(17-22)31-26-18-27(30-20-29-26)33-14-12-32(13-15-33)19-21-6-4-11-25(16-21)34-24-9-2-1-3-10-24/h1-11,16-18,20H,12-15,19H2,(H,29,30,31)