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

Systemtic Name: 2-(4-chloranyl-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl ethanoate Openeye Name: 2-(4-chloro-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate CAS Name: acetic acid 2-[4-chloro-7-methyl-2-(methylthio)-5-pyrrolo[2,3-d]pyrimidinyl]ethyl ester IUPAC Name: 2-(4-chloro-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate Traditional Name: acetic acid 2-[4-chloro-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidin-5-yl]ethyl ester Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CN(C2=C1C(=NC(=N2)SC)Cl)C

Isomeric SMILES

CC(=O)OCCC1=CN(C2=C1C(=NC(=N2)SC)Cl)C

InChI

InChI=1S/C12H14ClN3O2S/c1-7(17)18-5-4-8-6-16(2)11-9(8)10(13)14-12(15-11)19-3/h6H,4-5H2,1-3H3