[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H16FN5O4 MolecularWeight: 361.327743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=NC=CN=C2N)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=NC=CN=C2N)F

InChI

InChI=1S/C16H16FN5O4/c17-10-1-3-11(4-2-10)22(8-5-12(18)23)13(24)9-26-16(25)14-15(19)21-7-6-20-14/h1-4,6-7H,5,8-9H2,(H2,18,23)(H2,19,21)