4-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine

Systemtic Name: 4-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine Openeye Name: 4-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine CAS Name: 4-[6-(3-ethynylphenoxy)-5-nitro-4-pyrimidinyl]-2,6-dimethylmorpholine IUPAC Name: 4-[6-(3-ethynylphenoxy)-5-nitropyrimidin-4-yl]-2,6-dimethylmorpholine Traditional Name: 4-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-2,6-dimethyl-morpholine Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C#C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C#C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-4-14-6-5-7-15(8-14)26-18-16(22(23)24)17(19-11-20-18)21-9-12(2)25-13(3)10-21/h1,5-8,11-13H,9-10H2,2-3H3