1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-(2-methylsulfanylethoxy)-4-oxidanyl-oxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-(2-methylsulfanylethoxy)-4-oxidanyl-oxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione Openeye Name: 3-(benzyloxymethyl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methylsulfanylethoxy)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[2-(methylthio)ethoxy]-2-oxolanyl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione IUPAC Name: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methylsulfanylethoxy)oxolan-2-yl]-5-methyl-3-(phenylmethoxymethyl)pyrimidine-2,4-dione Traditional Name: 3-(benzoxymethyl)-1-[(2R,3R,4R,5R)-4-hydroxy-5-methylol-3-[2-(methylthio)ethoxy]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)COCC2=CC=CC=C2)C3C(C(C(O3)CO)O)OCCSC

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)COCC2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OCCSC

InChI

InChI=1S/C21H28N2O7S/c1-14-10-22(20-18(29-8-9-31-2)17(25)16(11-24)30-20)21(27)23(19(14)26)13-28-12-15-6-4-3-5-7-15/h3-7,10,16-18,20,24-25H,8-9,11-13H2,1-2H3/t16-,17-,18-,20-/m1/s1