[2-azaniumyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]azanium sulfate

Systemtic Name: [2-azaniumyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]azanium sulfate Openeye Name: [2-azaniumyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]ammonium sulfate CAS Name: [2-ammonio-5-(4-chlorophenyl)-6-ethyl-4-pyrimidinyl]ammonium sulfate IUPAC Name: [2-azaniumyl-5-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]azanium sulfate Traditional Name: [2-ammonio-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]ammonium sulfate Formula: C12H15ClN4O4S MolecularWeight: 346.7899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)[NH3+])[NH3+])C2=CC=C(C=C2)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)[NH3+])[NH3+])C2=CC=C(C=C2)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H13ClN4.H2O4S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-5(2,3)4/h3-6H,2H2,1H3,(H4,14,15,16,17);(H2,1,2,3,4)