[3-azaniumyl-4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfonyl]phenyl]azanium dichloride

Systemtic Name: [3-azaniumyl-4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfonyl]phenyl]azanium dichloride Openeye Name: [3-azaniumyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfonyl]phenyl]ammonium dichloride CAS Name: [3-ammonio-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfonyl]phenyl]ammonium dichloride IUPAC Name: [3-azaniumyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfonyl]phenyl]azanium dichloride Traditional Name: [3-ammonio-4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)sulfonyl]phenyl]ammonium dichloride Formula: C11H14Cl2N4O3S MolecularWeight: 353.22486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)S(=O)(=O)C2=C(C=C(C=C2)[NH3+])[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)S(=O)(=O)C2=C(C=C(C=C2)[NH3+])[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C11H12N4O3S.2ClH/c1-6-4-10(16)15-11(14-6)19(17,18)9-3-2-7(12)5-8(9)13;;/h2-5H,12-13H2,1H3,(H,14,15,16);2*1H