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

Systemtic Name: ethyl 1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(2-furylmethylamino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(2-furanylmethylamino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(2-furfurylamino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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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=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCC2=CC=CO2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-2-28-20(27)17-12-23-21(30-14-15-7-4-3-5-8-15)24(19(17)26)13-18(25)22-11-16-9-6-10-29-16/h3-10,12H,2,11,13-14H2,1H3,(H,22,25)