4-[5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]morpholine

Systemtic Name: 4-[5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]morpholine Openeye Name: 4-[5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]morpholine CAS Name: 4-[5-nitro-6-(2-phenylethynyl)-4-pyrimidinyl]morpholine IUPAC Name: 4-[5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]morpholine Traditional Name: 4-[5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]morpholine Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=NC(=C2[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=NC=NC(=C2[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C16H14N4O3/c21-20(22)15-14(7-6-13-4-2-1-3-5-13)17-12-18-16(15)19-8-10-23-11-9-19/h1-5,12H,8-11H2