ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[2-(2-furylmethylamino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[2-(2-furanylmethylamino)-2-oxoethyl]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-1-[2-(2-furfurylamino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CO2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CO2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-2-29-20(28)16-11-24-21(31-13-14-6-3-4-8-17(14)22)25(19(16)27)12-18(26)23-10-15-7-5-9-30-15/h3-9,11H,2,10,12-13H2,1H3,(H,23,26)