ethyl 3-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: ethyl 3-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylpropanoate Openeye Name: ethyl 3-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(4-amino-6-chloro-2-pyrimidinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-amino-6-chloropyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4-amino-6-chloro-pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C9H12ClN3O2S MolecularWeight: 261.72848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

CCOC(=O)CCSC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C9H12ClN3O2S/c1-2-15-8(14)3-4-16-9-12-6(10)5-7(11)13-9/h5H,2-4H2,1H3,(H2,11,12,13)