sodium 4-azanyl-1-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-2-methyl-pyrimidin-1-ium-5-sulfonate

Systemtic Name: sodium 4-azanyl-1-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-2-methyl-pyrimidin-1-ium-5-sulfonate Openeye Name: sodium 4-amino-1-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-2-methyl-pyrimidin-1-ium-5-sulfonate CAS Name: sodium 4-amino-1-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-2-methyl-5-pyrimidin-1-iumsulfonate IUPAC Name: sodium 4-amino-1-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]-2-methylpyrimidin-1-ium-5-sulfonate Traditional Name: sodium 4-amino-1-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-2-methyl-pyrimidin-1-ium-5-sulfonate Formula: C12H17N6NaO3S+2 MolecularWeight: 348.35655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)C[N+]2=C(N=C(C(=C2)S(=O)(=O)[O-])N)C)C.[Na+]

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)C[N+]2=C(N=C(C(=C2)S(=O)(=O)[O-])N)C)C.[Na+]

InChI

InChI=1S/C12H16N6O3S.Na/c1-7-15-11(13)9(4-17(7)3)5-18-6-10(22(19,20)21)12(14)16-8(18)2;/h4,6,13-14H,5H2,1-3H3,(H,19,20,21);/q;+1/p+1