ethyl 2-(4-azanyl-5-cyano-6-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-azanyl-5-cyano-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-amino-5-cyano-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5-cyano-6-phenyl-2-pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-5-cyano-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-cyano-6-phenyl-pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=N1)N)C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=N1)N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H14N4O2S/c1-2-21-12(20)9-22-15-18-13(10-6-4-3-5-7-10)11(8-16)14(17)19-15/h3-7H,2,9H2,1H3,(H2,17,18,19)