[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C16H17FN4O3 MolecularWeight: 332.329583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=NC=CN=C2N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C16H17FN4O3/c1-9(11-3-5-12(17)6-4-11)21-15(22)10(2)24-16(23)13-14(18)20-8-7-19-13/h3-10H,1-2H3,(H2,18,20)(H,21,22)