[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3-azanyl-6-chloranyl-pyrazine-2-carboxylate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3-azanyl-6-chloranyl-pyrazine-2-carboxylate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 3-amino-6-chloro-pyrazine-2-carboxylate CAS Name: 3-amino-6-chloro-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-amino-6-chloropyrazine-2-carboxylate Traditional Name: 3-amino-6-chloro-pyrazinic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C13H17ClN4O3 MolecularWeight: 312.75208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O3/c1-7(5-9(19)18-13(2,3)4)21-12(20)10-11(15)16-6-8(14)17-10/h5-6H,1-4H3,(H2,15,16)(H,18,19)/b7-5+