6-methyl-2-[3-(3-methyl-4-propan-2-yl-phenoxy)propylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[3-(3-methyl-4-propan-2-yl-phenoxy)propylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[3-(4-isopropyl-3-methyl-phenoxy)propylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[3-(3-methyl-4-propan-2-ylphenoxy)propylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[3-(3-methyl-4-propan-2-ylphenoxy)propylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[3-(4-isopropyl-3-methyl-phenoxy)propylthio]-6-methyl-pyrimidin-4-olate Formula: C18H23N2O2S- MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCOC2=CC(=C(C=C2)C(C)C)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCOC2=CC(=C(C=C2)C(C)C)C)[O-]

InChI

InChI=1S/C18H24N2O2S/c1-12(2)16-7-6-15(10-13(16)3)22-8-5-9-23-18-19-14(4)11-17(21)20-18/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,20,21)/p-1