ethyl 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-phenyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-methyl-2-phenyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N2O7S MolecularWeight: 436.47876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SC2C(C(C(C(O2)CO)O)O)O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O7S/c1-3-28-19(27)13-10(2)21-17(11-7-5-4-6-8-11)22-18(13)30-20-16(26)15(25)14(24)12(9-23)29-20/h4-8,12,14-16,20,23-26H,3,9H2,1-2H3/t12-,14-,15+,16-,20+/m1/s1