(phenylmethyl) 3-azanylidene-6-[3-methyl-2,3,4-tris(oxidanyl)butan-2-yl]-4-oxidanyl-pyrazine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-azanylidene-6-[3-methyl-2,3,4-tris(oxidanyl)butan-2-yl]-4-oxidanyl-pyrazine-2-carboxylate Openeye Name: benzyl 4-hydroxy-3-imino-6-(1,2,3-trihydroxy-1,2-dimethyl-propyl)pyrazine-2-carboxylate CAS Name: 4-hydroxy-3-imino-6-(2,3,4-trihydroxy-3-methylbutan-2-yl)-2-pyrazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-3-imino-6-(2,3,4-trihydroxy-3-methylbutan-2-yl)pyrazine-2-carboxylate Traditional Name: 4-hydroxy-3-imino-6-(1,2,3-trihydroxy-1,2-dimethyl-propyl)pyrazinic acid benzyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(C)(C1=CN(C(=N)C(=N1)C(=O)OCC2=CC=CC=C2)O)O)O

Isomeric SMILES

CC(CO)(C(C)(C1=CN(C(=N)C(=N1)C(=O)OCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C17H21N3O6/c1-16(23,10-21)17(2,24)12-8-20(25)14(18)13(19-12)15(22)26-9-11-6-4-3-5-7-11/h3-8,18,21,23-25H,9-10H2,1-2H3