2-[(4-azanylpyrimidin-2-yl)methylsulfanyl]ethyl ethanoate

Systemtic Name: 2-[(4-azanylpyrimidin-2-yl)methylsulfanyl]ethyl ethanoate Openeye Name: 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[(4-amino-2-pyrimidinyl)methylthio]ethyl ester IUPAC Name: 2-[(4-aminopyrimidin-2-yl)methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[(4-aminopyrimidin-2-yl)methylthio]ethyl ester Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC1=NC=CC(=N1)N

Isomeric SMILES

CC(=O)OCCSCC1=NC=CC(=N1)N

InChI

InChI=1S/C9H13N3O2S/c1-7(13)14-4-5-15-6-9-11-3-2-8(10)12-9/h2-3H,4-6H2,1H3,(H2,10,11,12)