3,5-bis(azanyl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide triphosphate

Systemtic Name: 3,5-bis(azanyl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide triphosphate Openeye Name: 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide triphosphate CAS Name: 3,5-diamino-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide triphosphate IUPAC Name: 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide triphosphate Traditional Name: 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide triphosphate Formula: C6H8ClN7O13P3-9 MolecularWeight: 514.541103

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C6H8ClN7O.3H3O4P/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;3*1-5(2,3)4/h(H4,8,9,13)(H4,10,11,14,15);3*(H3,1,2,3,4)/p-9