2-azanyl-3-(5-ethyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(5-ethyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)propanoic acid Openeye Name: 2-amino-3-(5-ethyl-4-oxo-2-thioxo-1H-pyrimidin-6-yl)propanoic acid CAS Name: 2-amino-3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)propanoic acid IUPAC Name: 2-amino-3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)propanoic acid Traditional Name: 2-amino-3-(5-ethyl-4-keto-2-thioxo-1H-pyrimidin-6-yl)propionic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=S)NC1=O)CC(C(=O)O)N

Isomeric SMILES

CCC1=C(NC(=S)NC1=O)CC(C(=O)O)N

InChI

InChI=1S/C9H13N3O3S/c1-2-4-6(3-5(10)8(14)15)11-9(16)12-7(4)13/h5H,2-3,10H2,1H3,(H,14,15)(H2,11,12,13,16)