1,3-dioxol-4-yl [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] carbonate

Systemtic Name: 1,3-dioxol-4-yl [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] carbonate Openeye Name: 1,3-dioxol-4-yl [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] carbonate CAS Name: carbonic acid 1,3-dioxol-4-yl [4-[2-(octylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: 1,3-dioxol-4-yl [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] carbonate Traditional Name: carbonic acid 1,3-dioxol-4-yl [4-[2-(octylthio)pyrimidin-5-yl]phenyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)OC3=COCO3

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)OC3=COCO3

InChI

InChI=1S/C22H26N2O5S/c1-2-3-4-5-6-7-12-30-21-23-13-18(14-24-21)17-8-10-19(11-9-17)28-22(25)29-20-15-26-16-27-20/h8-11,13-15H,2-7,12,16H2,1H3