3-(2-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid

Systemtic Name: 3-(2-methylsulfanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid Openeye Name: 3-(2-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid CAS Name: 3-[2-(methylthio)-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl]propanoic acid IUPAC Name: 3-(2-methylsulfanyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid Traditional Name: 3-[4-keto-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-7-yl]propionic acid Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C=C2)CCC(=O)O

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C=C2)CCC(=O)O

InChI

InChI=1S/C10H11N3O3S/c1-17-10-11-8-6(9(16)12-10)2-4-13(8)5-3-7(14)15/h2,4H,3,5H2,1H3,(H,14,15)(H,11,12,16)