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

Systemtic Name: 3-(4-methoxy-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid Openeye Name: 3-(4-methoxy-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid CAS Name: 3-[4-methoxy-2-(methylthio)-7-pyrrolo[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(4-methoxy-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)propanoic acid Traditional Name: 3-[4-methoxy-2-(methylthio)pyrrolo[2,3-d]pyrimidin-7-yl]propionic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1C=CN2CCC(=O)O)SC

Isomeric SMILES

COC1=NC(=NC2=C1C=CN2CCC(=O)O)SC

InChI

InChI=1S/C11H13N3O3S/c1-17-10-7-3-5-14(6-4-8(15)16)9(7)12-11(13-10)18-2/h3,5H,4,6H2,1-2H3,(H,15,16)