4-(methoxymethoxy)-N-octyl-6-(2-pyren-1-ylethynyl)pyrimidin-2-amine

Systemtic Name: 4-(methoxymethoxy)-N-octyl-6-(2-pyren-1-ylethynyl)pyrimidin-2-amine Openeye Name: 4-(methoxymethoxy)-N-octyl-6-(2-pyren-1-ylethynyl)pyrimidin-2-amine CAS Name: 4-(methoxymethoxy)-N-octyl-6-[2-(1-pyrenyl)ethynyl]-2-pyrimidinamine IUPAC Name: 4-(methoxymethoxy)-N-octyl-6-(2-pyren-1-ylethynyl)pyrimidin-2-amine Traditional Name: [4-(methoxymethoxy)-6-(2-pyren-1-ylethynyl)pyrimidin-2-yl]-octyl-amine Formula: C32H33N3O2 MolecularWeight: 491.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(=CC(=N1)OCOC)C#CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CCCCCCCCNC1=NC(=CC(=N1)OCOC)C#CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C32H33N3O2/c1-3-4-5-6-7-8-20-33-32-34-27(21-29(35-32)37-22-36-2)18-16-23-12-13-26-15-14-24-10-9-11-25-17-19-28(23)31(26)30(24)25/h9-15,17,19,21H,3-8,20,22H2,1-2H3,(H,33,34,35)