2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoate; di(propan-2-yl)azanium

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoate; di(propan-2-yl)azanium Openeye Name: diisopropylammonium; 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-pent-1-ynylbenzoate; di(propan-2-yl)ammonium IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynylbenzoate; di(propan-2-yl)azanium Traditional Name: diisopropylammonium; 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pent-1-ynyl-benzoate Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)[O-].CC(C)[NH2+]C(C)C

Isomeric SMILES

CCCC#CC1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)[O-].CC(C)[NH2+]C(C)C

InChI

InChI=1S/C18H18N2O5.C6H15N/c1-4-5-6-8-12-9-7-10-13(16(12)17(21)22)25-18-19-14(23-2)11-15(20-18)24-3;1-5(2)7-6(3)4/h7,9-11H,4-5H2,1-3H3,(H,21,22);5-7H,1-4H3