butyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoate Openeye Name: butyl 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetic acid butyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C11H14N4O2S/c1-2-3-4-17-9(16)7-18-11-14-6-8(5-12)10(13)15-11/h6H,2-4,7H2,1H3,(H2,13,14,15)