2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanylpropanoate

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanylpropanoate Openeye Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanylpropanoate CAS Name: 2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]propanoate IUPAC Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanylpropanoate Traditional Name: 2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]propionate Formula: C7H11N4O2S+ MolecularWeight: 215.25284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=[NH+]C(=CC(=[NH+]1)N)N

Isomeric SMILES

CC(C(=O)[O-])SC1=[NH+]C(=CC(=[NH+]1)N)N

InChI

InChI=1S/C7H10N4O2S/c1-3(6(12)13)14-7-10-4(8)2-5(9)11-7/h2-3H,1H3,(H,12,13)(H4,8,9,10,11)/p+1