[4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(octylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(octylthio)pyrimidin-5-yl]phenyl] ester Formula: C24H32N2O4S MolecularWeight: 444.58688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

InChI

InChI=1S/C24H32N2O4S/c1-4-5-6-7-8-9-14-31-23-25-15-19(16-26-23)18-10-12-20(13-11-18)29-22(27)21-17-28-24(2,3)30-21/h10-13,15-16,21H,4-9,14,17H2,1-3H3