2-[(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid IUPAC Name: 2-[(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=C1C(=C(N2)SCC(=O)O)C#N)C

Isomeric SMILES

CCOC1=NC(=NC2=C1C(=C(N2)SCC(=O)O)C#N)C

InChI

InChI=1S/C12H12N4O3S/c1-3-19-11-9-7(4-13)12(20-5-8(17)18)16-10(9)14-6(2)15-11/h3,5H2,1-2H3,(H,17,18)(H,14,15,16)