3-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanylpropanoate Openeye Name: 3-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanylpropanoate CAS Name: 3-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]propanoate IUPAC Name: 3-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanylpropanoate Traditional Name: 3-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]propionate Formula: C7H10N4O2S MolecularWeight: 214.2449

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C([NH+]=C1N)SCCC(=O)[O-])N

Isomeric SMILES

C1=C(N=C([NH+]=C1N)SCCC(=O)[O-])N

InChI

InChI=1S/C7H10N4O2S/c8-4-3-5(9)11-7(10-4)14-2-1-6(12)13/h3H,1-2H2,(H,12,13)(H4,8,9,10,11)