ethyl 2-[(4-chloranyl-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-chloranyl-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-chloro-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate CAS Name: 2-[(4-chloro-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate Traditional Name: 2-[(4-chloro-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid ethyl ester Formula: C12H11ClN4O2S MolecularWeight: 310.75934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C2=C(N1)N=C(N=C2Cl)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C2=C(N1)N=C(N=C2Cl)C)C#N

InChI

InChI=1S/C12H11ClN4O2S/c1-3-19-8(18)5-20-12-7(4-14)9-10(13)15-6(2)16-11(9)17-12/h3,5H2,1-2H3,(H,15,16,17)