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

Systemtic Name: 2-[(4-chloranyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(4-chloro-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[[4-chloro-2-(methylthio)-7-pyrrolo[2,3-d]pyrimidinyl]methoxy]ethyl ester IUPAC Name: 2-[(4-chloro-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[[4-chloro-2-(methylthio)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl ester Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=CC2=C1N=C(N=C2Cl)SC

Isomeric SMILES

CC(=O)OCCOCN1C=CC2=C1N=C(N=C2Cl)SC

InChI

InChI=1S/C12H14ClN3O3S/c1-8(17)19-6-5-18-7-16-4-3-9-10(13)14-12(20-2)15-11(9)16/h3-4H,5-7H2,1-2H3