6-methyl-2-(phenylmethylsulfanyl)-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-(phenylmethylsulfanyl)-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[(4-isopropoxyphenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-(phenylmethylthio)-5-[(4-propan-2-yloxyphenyl)methyl]-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(4-isopropoxybenzyl)-6-methyl-pyrimidin-4-olate Formula: C22H23N2O2S- MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C22H24N2O2S/c1-15(2)26-19-11-9-17(10-12-19)13-20-16(3)23-22(24-21(20)25)27-14-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,24,25)/p-1