6-methyl-2-[2-[2-(2-phenylmethoxyphenoxy)ethoxy]ethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-[2-(2-phenylmethoxyphenoxy)ethoxy]ethylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[2-[2-(2-benzyloxyphenoxy)ethoxy]ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[2-[2-(2-phenylmethoxyphenoxy)ethoxy]ethylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-[2-(2-phenylmethoxyphenoxy)ethoxy]ethylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[2-[2-(2-benzoxyphenoxy)ethoxy]ethylthio]-6-methyl-pyrimidin-4-olate Formula: C22H23N2O4S- MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCOCCOC2=CC=CC=C2OCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCOCCOC2=CC=CC=C2OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H24N2O4S/c1-17-15-21(25)24-22(23-17)29-14-13-26-11-12-27-19-9-5-6-10-20(19)28-16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)/p-1