2-azanyl-3-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]propionic acid Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C9H12N4O3S/c10-6(8(15)16)4-17-5-7(14)13-9-11-2-1-3-12-9/h1-3,6H,4-5,10H2,(H,15,16)(H,11,12,13,14)