5-(3-methoxybut-1-ynyl)-6-(3-propoxyprop-1-ynyl)pyrazine-2,3-dicarboxylic acid

Systemtic Name: 5-(3-methoxybut-1-ynyl)-6-(3-propoxyprop-1-ynyl)pyrazine-2,3-dicarboxylic acid Openeye Name: 5-(3-methoxybut-1-ynyl)-6-(3-propoxyprop-1-ynyl)pyrazine-2,3-dicarboxylic acid CAS Name: 5-(3-methoxybut-1-ynyl)-6-(3-propoxyprop-1-ynyl)pyrazine-2,3-dicarboxylic acid IUPAC Name: 5-(3-methoxybut-1-ynyl)-6-(3-propoxyprop-1-ynyl)pyrazine-2,3-dicarboxylic acid Traditional Name: 5-(3-methoxybut-1-ynyl)-6-(3-propoxyprop-1-ynyl)pyrazine-2,3-dicarboxylic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC#CC1=C(N=C(C(=N1)C(=O)O)C(=O)O)C#CC(C)OC

Isomeric SMILES

CCCOCC#CC1=C(N=C(C(=N1)C(=O)O)C(=O)O)C#CC(C)OC

InChI

InChI=1S/C17H18N2O6/c1-4-9-25-10-5-6-12-13(8-7-11(2)24-3)19-15(17(22)23)14(18-12)16(20)21/h11H,4,9-10H2,1-3H3,(H,20,21)(H,22,23)