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

Systemtic Name: ethyl 2-[4-azanyl-5-cyano-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-amino-5-cyano-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-cyano-6-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-cyano-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-cyano-6-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-3-23-13(21)9-24-16-19-14(12(8-17)15(18)20-16)10-4-6-11(22-2)7-5-10/h4-7H,3,9H2,1-2H3,(H2,18,19,20)