phenylsulfanylmethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Systemtic Name: phenylsulfanylmethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Openeye Name: phenylsulfanylmethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate CAS Name: 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid (phenylthio)methyl ester IUPAC Name: phenylsulfanylmethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Traditional Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid (phenylthio)methyl ester Formula: C26H24N4O8S MolecularWeight: 552.55576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)OCSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)OCSC4=CC=CC=C4)OC

InChI

InChI=1S/C26H24N4O8S/c1-32-19-13-20(33-2)28-25(27-19)37-17-11-8-12-18(38-26-29-21(34-3)14-22(30-26)35-4)23(17)24(31)36-15-39-16-9-6-5-7-10-16/h5-14H,15H2,1-4H3