[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C14H13BrN4O3 MolecularWeight: 365.18202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C14H13BrN4O3/c1-8-6-9(15)2-3-10(8)19-11(20)7-22-14(21)12-13(16)18-5-4-17-12/h2-6H,7H2,1H3,(H2,16,18)(H,19,20)