[2,6-bis(azanyl)-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2,6-bis(azanyl)-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(3,6-dihydro-2H-pyridin-1-yl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-1-ium-1-yl] ester Formula: C9H14N5O4S+ MolecularWeight: 288.30356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

Isomeric SMILES

C1CN(CC=C1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

InChI

InChI=1S/C9H13N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h1-2,6H,3-5H2,(H4,10,11,12,15,16,17)/p+1