(phenylmethyl) 3-[(5-bromanyl-3,6-diethyl-pyrazin-2-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(5-bromanyl-3,6-diethyl-pyrazin-2-yl)amino]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(5-bromo-3,6-diethyl-pyrazin-2-yl)amino]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 3-[(5-bromo-3,6-diethyl-2-pyrazinyl)amino]-4-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(5-bromo-3,6-diethylpyrazin-2-yl)amino]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 3-[(5-bromo-3,6-diethyl-pyrazin-2-yl)amino]-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)Br)CC)NC2CN(CC2O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C(C(=N1)Br)CC)NC2CN(CC2O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25BrN4O3/c1-3-14-18(21)22-15(4-2)19(23-14)24-16-10-25(11-17(16)26)20(27)28-12-13-8-6-5-7-9-13/h5-9,16-17,26H,3-4,10-12H2,1-2H3,(H,23,24)