6-methyl-5-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-(2-isobutoxy-2-oxo-ethyl)-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-(2-methylpropoxy)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-(2-methylpropoxy)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(2-isobutoxy-2-keto-ethyl)-6-methyl-pyrimidin-4-olate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)OCC(C)C

InChI

InChI=1S/C18H22N2O3S/c1-12(2)10-23-16(21)9-15-13(3)19-18(20-17(15)22)24-11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,19,20,22)/p-1