(2-bromanyl-4,5-diethoxy-phenyl)methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 3-azanylpyrazine-2-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=NC=CN=C2N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=NC=CN=C2N)Br)OCC

InChI

InChI=1S/C16H18BrN3O4/c1-3-22-12-7-10(11(17)8-13(12)23-4-2)9-24-16(21)14-15(18)20-6-5-19-14/h5-8H,3-4,9H2,1-2H3,(H2,18,20)