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

Systemtic Name: 2-[(5-cyano-4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-cyano-4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(5-cyano-4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid IUPAC Name: 2-[(5-cyano-4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-cyano-4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(N2)SCC(=O)O)C#N)C(=N1)OC

Isomeric SMILES

CC1=NC2=C(C(=C(N2)SCC(=O)O)C#N)C(=N1)OC

InChI

InChI=1S/C11H10N4O3S/c1-5-13-9-8(10(14-5)18-2)6(3-12)11(15-9)19-4-7(16)17/h4H2,1-2H3,(H,16,17)(H,13,14,15)