2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-6-methyl-5-pentyl-pyrimidin-4-olate

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-6-methyl-5-pentyl-pyrimidin-4-olate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-6-methyl-5-pentyl-pyrimidin-4-olate CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-6-methyl-5-pentyl-4-pyrimidinolate IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-6-methyl-5-pentylpyrimidin-4-olate Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-5-amyl-6-methyl-pyrimidin-4-olate Formula: C21H27N2O3S- MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(N=C1[O-])SCC2=C(C=CC(=C2)C(=O)C)OCC)C

Isomeric SMILES

CCCCCC1=C(N=C(N=C1[O-])SCC2=C(C=CC(=C2)C(=O)C)OCC)C

InChI

InChI=1S/C21H28N2O3S/c1-5-7-8-9-18-14(3)22-21(23-20(18)25)27-13-17-12-16(15(4)24)10-11-19(17)26-6-2/h10-12H,5-9,13H2,1-4H3,(H,22,23,25)/p-1