2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-isopentyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-6-methyl-5-(3-methylbutyl)-4-pyrimidinolate IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-5-isoamyl-6-methyl-pyrimidin-4-olate Formula: C19H25N2OS- MolecularWeight: 329.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CCC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CCC(C)C)C)C

InChI

InChI=1S/C19H26N2OS/c1-12(2)6-9-17-15(5)20-19(21-18(17)22)23-11-16-8-7-13(3)10-14(16)4/h7-8,10,12H,6,9,11H2,1-5H3,(H,20,21,22)/p-1