5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine CAS Name: 5-nitro-6-(2-phenylethynyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]amine Formula: C12H8N4O2 MolecularWeight: 240.21752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C(=NC=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C(=NC=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O2/c13-12-11(16(17)18)10(14-8-15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,(H2,13,14,15)