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

Systemtic Name: methyl 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]propionic acid methyl ester Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=CC(=N1)N)N

Isomeric SMILES

COC(=O)CCSC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C8H12N4O2S/c1-14-7(13)2-3-15-8-11-5(9)4-6(10)12-8/h4H,2-3H2,1H3,(H4,9,10,11,12)