methyl 3,5-bis(azanyl)-6-(2-phenylethynyl)pyrazine-2-carboxylate

Systemtic Name: methyl 3,5-bis(azanyl)-6-(2-phenylethynyl)pyrazine-2-carboxylate Openeye Name: methyl 3,5-diamino-6-(2-phenylethynyl)pyrazine-2-carboxylate CAS Name: 3,5-diamino-6-(2-phenylethynyl)-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3,5-diamino-6-(2-phenylethynyl)pyrazine-2-carboxylate Traditional Name: 3,5-diamino-6-(2-phenylethynyl)pyrazinic acid methyl ester Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C(N=C1N)N)C#CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NC(=C(N=C1N)N)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H12N4O2/c1-20-14(19)11-13(16)18-12(15)10(17-11)8-7-9-5-3-2-4-6-9/h2-6H,1H3,(H4,15,16,18)