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

Systemtic Name: [2,6-bis(azanyl)-4-(phenethylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(phenethylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(phenethylamino)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(phenethylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(phenethylamino)pyrimidin-1-ium-1-yl] ester Formula: C12H16N5O4S+ MolecularWeight: 326.35154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

InChI

InChI=1S/C12H15N5O4S/c13-10-8-11(15-7-6-9-4-2-1-3-5-9)16-12(14)17(10)21-22(18,19)20/h1-5,8H,6-7H2,(H5,13,14,15,16,18,19,20)/p+1