5-ethyl-1-[(2-oxidanyl-1-phenyl-ethoxy)methyl]-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 5-ethyl-1-[(2-oxidanyl-1-phenyl-ethoxy)methyl]-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 5-ethyl-1-[(2-hydroxy-1-phenyl-ethoxy)methyl]-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 5-ethyl-1-[(2-hydroxy-1-phenylethoxy)methyl]-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 5-ethyl-1-[(2-hydroxy-1-phenylethoxy)methyl]-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 5-ethyl-1-[(2-hydroxy-1-phenyl-ethoxy)methyl]-6-(phenylthio)pyrimidine-2,4-quinone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)COC(CO)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)COC(CO)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-2-17-19(25)22-21(26)23(20(17)28-16-11-7-4-8-12-16)14-27-18(13-24)15-9-5-3-6-10-15/h3-12,18,24H,2,13-14H2,1H3,(H,22,25,26)