6-methyl-2-[3-(2-phenylphenoxy)propylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[3-(2-phenylphenoxy)propylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[3-(2-phenylphenoxy)propylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[3-(2-phenylphenoxy)propylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[3-(2-phenylphenoxy)propylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[3-(2-phenylphenoxy)propylthio]pyrimidin-4-olate Formula: C20H19N2O2S- MolecularWeight: 351.44206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCOC2=CC=CC=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCOC2=CC=CC=C2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H20N2O2S/c1-15-14-19(23)22-20(21-15)25-13-7-12-24-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3,(H,21,22,23)/p-1