ethyl 4-azanyl-2-[2-[2-(4-bromanylphenoxy)ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(4-bromanylphenoxy)ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(4-bromophenoxy)ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(4-bromophenoxy)ethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(4-bromophenoxy)ethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(4-bromophenoxy)ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18BrN3O5S MolecularWeight: 456.31092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrN3O5S/c1-2-24-16(23)13-9-20-17(21-15(13)19)27-10-14(22)26-8-7-25-12-5-3-11(18)4-6-12/h3-6,9H,2,7-8,10H2,1H3,(H2,19,20,21)