(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl) 3-azanylpyrazine-2-carboxylate

Systemtic Name: (3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl) 3-azanylpyrazine-2-carboxylate Openeye Name: [2-methyl-1-(phenylcarbamoyl)propyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid (1-anilino-3-methyl-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-3-methyl-1-oxobutan-2-yl) 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-methyl-1-(phenylcarbamoyl)propyl] ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=NC=CN=C2N

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C16H18N4O3/c1-10(2)13(15(21)20-11-6-4-3-5-7-11)23-16(22)12-14(17)19-9-8-18-12/h3-10,13H,1-2H3,(H2,17,19)(H,20,21)