[N-tert-butyl-C-(2-oxidanylidenepropyl)carbonimidoyl] 3,5-bis(azanyl)-6-chloranyl-pyrazine-2-carboxylate

Systemtic Name: [N-tert-butyl-C-(2-oxidanylidenepropyl)carbonimidoyl] 3,5-bis(azanyl)-6-chloranyl-pyrazine-2-carboxylate Openeye Name: (C-acetonyl-N-tert-butyl-carbonimidoyl) 3,5-diamino-6-chloro-pyrazine-2-carboxylate CAS Name: 3,5-diamino-6-chloro-2-pyrazinecarboxylic acid (1-tert-butylimino-3-oxobutyl) ester IUPAC Name: [N-tert-butyl-C-(2-oxopropyl)carbonimidoyl] 3,5-diamino-6-chloropyrazine-2-carboxylate Traditional Name: 3,5-diamino-6-chloro-pyrazinic acid (C-acetonyl-N-tert-butyl-carbonimidoyl) ester Formula: C13H18ClN5O3 MolecularWeight: 327.76672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN5O3/c1-6(20)5-7(19-13(2,3)4)22-12(21)8-10(15)18-11(16)9(14)17-8/h5H2,1-4H3,(H4,15,16,18)