2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-isopentyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-methyl-5-(3-methylbutyl)-4-pyrimidinolate IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-5-isoamyl-6-methyl-pyrimidin-4-olate Formula: C20H25N2O3S- MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-12(2)6-8-17-13(3)21-20(22-19(17)24)26-11-16-10-15(14(4)23)7-9-18(16)25-5/h7,9-10,12H,6,8,11H2,1-5H3,(H,21,22,24)/p-1