[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(C)(C)C)OC(=O)C1=NC=CN=C1N

Isomeric SMILES

C/C(=C\C(=O)NC(C)(C)C)/OC(=O)C1=NC=CN=C1N

InChI

InChI=1S/C13H18N4O3/c1-8(7-9(18)17-13(2,3)4)20-12(19)10-11(14)16-6-5-15-10/h5-7H,1-4H3,(H2,14,16)(H,17,18)/b8-7+