[2,6-bis(azanyl)-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2,6-bis(azanyl)-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(octylamino)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(octylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(octylamino)pyrimidin-1-ium-1-yl] ester Formula: C12H24N5O4S+ MolecularWeight: 334.41506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=[N+](C(=N1)N)OS(=O)(=O)O)N

Isomeric SMILES

CCCCCCCCNC1=CC(=[N+](C(=N1)N)OS(=O)(=O)O)N

InChI

InChI=1S/C12H23N5O4S/c1-2-3-4-5-6-7-8-15-11-9-10(13)17(12(14)16-11)21-22(18,19)20/h9H,2-8H2,1H3,(H5,13,14,15,16,18,19,20)/p+1