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

Systemtic Name: [2,6-bis(azanyl)-4-(1-phenylpropan-2-ylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-[(1-methyl-2-phenyl-ethyl)amino]pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(1-phenylpropan-2-ylamino)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(1-phenylpropan-2-ylamino)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-[(1-methyl-2-phenyl-ethyl)amino]pyrimidin-1-ium-1-yl] ester Formula: C13H18N5O4S+ MolecularWeight: 340.37812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N

InChI

InChI=1S/C13H17N5O4S/c1-9(7-10-5-3-2-4-6-10)16-12-8-11(14)18(13(15)17-12)22-23(19,20)21/h2-6,8-9H,7H2,1H3,(H5,14,15,16,17,19,20,21)/p+1