ethyl 2-[1-(2-hydroxyethyloxy)-3-methylsulfanyl-propyl]-4-oxidanylidene-5-phenylmethoxy-1H-pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[1-(2-hydroxyethyloxy)-3-methylsulfanyl-propyl]-4-oxidanylidene-5-phenylmethoxy-1H-pyrimidine-6-carboxylate Openeye Name: ethyl 5-benzyloxy-2-[1-(2-hydroxyethoxy)-3-methylsulfanyl-propyl]-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-[1-(2-hydroxyethoxy)-3-(methylthio)propyl]-4-oxo-5-phenylmethoxy-1H-pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-hydroxyethoxy)-3-methylsulfanylpropyl]-4-oxo-5-phenylmethoxy-1H-pyrimidine-6-carboxylate Traditional Name: 5-benzoxy-2-[1-(2-hydroxyethoxy)-3-(methylthio)propyl]-4-keto-1H-pyrimidine-6-carboxylic acid ethyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N=C(N1)C(CCSC)OCCO)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N=C(N1)C(CCSC)OCCO)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O6S/c1-3-26-20(25)16-17(28-13-14-7-5-4-6-8-14)19(24)22-18(21-16)15(9-12-29-2)27-11-10-23/h4-8,15,23H,3,9-13H2,1-2H3,(H,21,22,24)