6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyrimidin-5-ylhexyl)phenyl]hexanal

Systemtic Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyrimidin-5-ylhexyl)phenyl]hexanal Openeye Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyrimidin-5-ylhexyl)phenyl]hexanal CAS Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-[6-(5-pyrimidinyl)hexyl]phenyl]hexanal IUPAC Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyrimidin-5-ylhexyl)phenyl]hexanal Traditional Name: 6-[2-(aminomethyl)-3-methylol-6-[6-(5-pyrimidyl)hexyl]phenyl]hexanal Formula: C24H35N3O2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCCCCC2=CN=CN=C2)CCCCCC=O)CN)CO

Isomeric SMILES

C1=CC(=C(C(=C1CCCCCCC2=CN=CN=C2)CCCCCC=O)CN)CO

InChI

InChI=1S/C24H35N3O2/c25-15-24-22(18-29)13-12-21(23(24)11-7-3-4-8-14-28)10-6-2-1-5-9-20-16-26-19-27-17-20/h12-14,16-17,19,29H,1-11,15,18,25H2