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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C11H14N4O2S/c1-11(2,3)17-8(16)6-18-10-14-5-7(4-12)9(13)15-10/h5H,6H2,1-3H3,(H2,13,14,15)