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

Systemtic Name: [(Z)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 3,5-bis(azanyl)-6-chloranyl-pyrazine-2-carboxylate Openeye Name: [(Z)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 3,5-diamino-6-chloro-pyrazine-2-carboxylate CAS Name: 3,5-diamino-6-chloro-2-pyrazinecarboxylic acid [(Z)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(Z)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 3,5-diamino-6-chloropyrazine-2-carboxylate Traditional Name: 3,5-diamino-6-chloro-pyrazinic acid [(Z)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C13H18ClN5O3 MolecularWeight: 327.76672

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN5O3/c1-6(5-7(20)19-13(2,3)4)22-12(21)8-10(15)18-11(16)9(14)17-8/h5H,1-4H3,(H,19,20)(H4,15,16,18)/b6-5-