ethyl 2-[6-[(4-bromophenyl)amino]-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-[(4-bromophenyl)amino]-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(4-bromoanilino)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(4-bromoanilino)-5-cyano-2-(methylthio)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-bromoanilino)-5-cyano-2-methylsulfanylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromoanilino)-5-cyano-2-(methylthio)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C16H15BrN4O2S2 MolecularWeight: 439.3499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C#N)NC2=CC=C(C=C2)Br)SC

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1C#N)NC2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C16H15BrN4O2S2/c1-3-23-13(22)9-25-15-12(8-18)14(20-16(21-15)24-2)19-11-6-4-10(17)5-7-11/h4-7H,3,9H2,1-2H3,(H,19,20,21)