ethyl 2-[4-azanyl-5-cyano-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-cyano-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-amino-5-cyano-6-(p-tolyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-cyano-6-(4-methylphenyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-cyano-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-cyano-6-(p-tolyl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-3-22-13(21)9-23-16-19-14(12(8-17)15(18)20-16)11-6-4-10(2)5-7-11/h4-7H,3,9H2,1-2H3,(H2,18,19,20)