[2,6-bis(azanyl)-4-(2,5-dihydropyrrol-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2,6-bis(azanyl)-4-(2,5-dihydropyrrol-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(2,5-dihydropyrrol-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(2,5-dihydropyrrol-1-yl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(2,5-dihydropyrrol-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(3-pyrrolin-1-yl)pyrimidin-1-ium-1-yl] ester Formula: C8H12N5O4S+ MolecularWeight: 274.27698

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

Isomeric SMILES

C1C=CCN1C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

InChI

InChI=1S/C8H11N5O4S/c9-6-5-7(12-3-1-2-4-12)11-8(10)13(6)17-18(14,15)16/h1-2,5H,3-4H2,(H4,9,10,11,14,15,16)/p+1