3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1,4-diol

Systemtic Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1,4-diol Openeye Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1,4-diol CAS Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-[(2-pyrimidinylthio)methyl]cyclohexane-1,4-diol IUPAC Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1,4-diol Traditional Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-[(2-pyrimidylthio)methyl]cyclohexane-1,4-diol Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(CSC3=NC=CC=N3)O)O)OC)C

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(CSC3=NC=CC=N3)O)O)OC)C

InChI

InChI=1S/C20H30N2O4S/c1-13(2)6-7-15-19(3,26-15)17-16(25-4)14(23)8-9-20(17,24)12-27-18-21-10-5-11-22-18/h5-6,10-11,14-17,23-24H,7-9,12H2,1-4H3