2-[4-[(4-cyclopropylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol

Systemtic Name: 2-[4-[(4-cyclopropylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[[4-[(4-cyclopropylphenyl)methyl]-3-pyridyl]oxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-[(4-cyclopropylphenyl)methyl]-3-pyridinyl]oxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[4-[(4-cyclopropylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[[4-(4-cyclopropylbenzyl)-3-pyridyl]oxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC=C(C=C2)CC3=C(C=NC=C3)OC4C(C(C(C(S4)CO)O)O)O

Isomeric SMILES

C1CC1C2=CC=C(C=C2)CC3=C(C=NC=C3)OC4C(C(C(C(S4)CO)O)O)O

InChI

InChI=1S/C21H25NO5S/c23-11-17-18(24)19(25)20(26)21(28-17)27-16-10-22-8-7-15(16)9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,10,14,17-21,23-26H,5-6,9,11H2