[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3-azanyl-6-chloranyl-5-(dimethylamino)pyrazine-2-carboxylate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3-azanyl-6-chloranyl-5-(dimethylamino)pyrazine-2-carboxylate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 3-amino-6-chloro-5-(dimethylamino)pyrazine-2-carboxylate CAS Name: 3-amino-6-chloro-5-(dimethylamino)-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-chloro-5-(dimethylamino)pyrazine-2-carboxylate Traditional Name: 3-amino-6-chloro-5-(dimethylamino)pyrazinic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C15H22ClN5O3 MolecularWeight: 355.81988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(C)(C)C)OC(=O)C1=C(N=C(C(=N1)Cl)N(C)C)N

Isomeric SMILES

C/C(=C\C(=O)NC(C)(C)C)/OC(=O)C1=C(N=C(C(=N1)Cl)N(C)C)N

InChI

InChI=1S/C15H22ClN5O3/c1-8(7-9(22)20-15(2,3)4)24-14(23)10-12(17)19-13(21(5)6)11(16)18-10/h7H,1-6H3,(H2,17,19)(H,20,22)/b8-7+