ethyl 4-azanyl-2-[2-[2-(3-chloranylphenoxy)ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(3-chloranylphenoxy)ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(3-chlorophenoxy)ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(3-chlorophenoxy)ethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(3-chlorophenoxy)ethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(3-chlorophenoxy)ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-2-24-16(23)13-9-20-17(21-15(13)19)27-10-14(22)26-7-6-25-12-5-3-4-11(18)8-12/h3-5,8-9H,2,6-7,10H2,1H3,(H2,19,20,21)