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

Systemtic Name: [2,6-bis(azanyl)-4-(dicyclohexylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2,6-diamino-4-(dicyclohexylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2,6-diamino-4-(dicyclohexylamino)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [2,6-diamino-4-(dicyclohexylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2,6-diamino-4-(dicyclohexylamino)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C16H29N5O5S MolecularWeight: 403.49696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C3=CC(=[N+](C(=N3)N)OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C3=CC(=[N+](C(=N3)N)OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C16H27N5O4S.H2O/c17-14-11-15(19-16(18)21(14)25-26(22,23)24)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h11-13H,1-10H2,(H4,17,18,19,22,23,24);1H2