N-[[2-[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]oxyphenyl]methyl]-5-bromanyl-pyridin-2-amine

Systemtic Name: N-[[2-[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]oxyphenyl]methyl]-5-bromanyl-pyridin-2-amine Openeye Name: N-[[2-[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]oxyphenyl]methyl]-5-bromo-pyridin-2-amine CAS Name: N-[[2-[[4,6-bis(trideuteriomethoxy)-2-pyrimidinyl]oxy]phenyl]methyl]-5-bromo-2-pyridinamine IUPAC Name: N-[[2-[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]oxyphenyl]methyl]-5-bromopyridin-2-amine Traditional Name: [2-[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]oxybenzyl]-(5-bromo-2-pyridyl)amine Formula: C18H17BrN4O3 MolecularWeight: 423.293551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2CNC3=NC=C(C=C3)Br)OC

Isomeric SMILES

[2H]C([2H])([2H])OC1=CC(=NC(=N1)OC2=CC=CC=C2CNC3=NC=C(C=C3)Br)OC([2H])([2H])[2H]

InChI

InChI=1S/C18H17BrN4O3/c1-24-16-9-17(25-2)23-18(22-16)26-14-6-4-3-5-12(14)10-20-15-8-7-13(19)11-21-15/h3-9,11H,10H2,1-2H3,(H,20,21)/i1D3,2D3