2-(4-chloranyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl ethanoate

Systemtic Name: 2-(4-chloranyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl ethanoate Openeye Name: 2-(4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate CAS Name: acetic acid 2-[4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl ester IUPAC Name: 2-(4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate Traditional Name: acetic acid 2-[4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl ester Formula: C11H12ClN3O2S MolecularWeight: 285.74988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CNC2=C1C(=NC(=N2)SC)Cl

Isomeric SMILES

CC(=O)OCCC1=CNC2=C1C(=NC(=N2)SC)Cl

InChI

InChI=1S/C11H12ClN3O2S/c1-6(16)17-4-3-7-5-13-10-8(7)9(12)14-11(15-10)18-2/h5H,3-4H2,1-2H3,(H,13,14,15)