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

Systemtic Name: ethyl 1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(2-furylmethylamino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(2-furanylmethylamino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(2-furfurylamino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CO2)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CO2)SCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S/c1-2-29-21(28)18-14-24-22(31-12-10-16-7-4-3-5-8-16)25(20(18)27)15-19(26)23-13-17-9-6-11-30-17/h3-9,11,14H,2,10,12-13,15H2,1H3,(H,23,26)