ethyl 2-oxidanylidene-3-[2,5,6-tris(azanyl)pyrimidin-4-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-oxidanylidene-3-[2,5,6-tris(azanyl)pyrimidin-4-yl]sulfanyl-propanoate Openeye Name: ethyl 2-oxo-3-(2,5,6-triaminopyrimidin-4-yl)sulfanyl-propanoate CAS Name: 2-oxo-3-[(2,5,6-triamino-4-pyrimidinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-(2,5,6-triaminopyrimidin-4-yl)sulfanylpropanoate Traditional Name: 2-keto-3-[(2,5,6-triaminopyrimidin-4-yl)thio]propionic acid ethyl ester Formula: C9H13N5O3S MolecularWeight: 271.29622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CSC1=NC(=NC(=C1N)N)N

Isomeric SMILES

CCOC(=O)C(=O)CSC1=NC(=NC(=C1N)N)N

InChI

InChI=1S/C9H13N5O3S/c1-2-17-8(16)4(15)3-18-7-5(10)6(11)13-9(12)14-7/h2-3,10H2,1H3,(H4,11,12,13,14)