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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-isopentyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-6-methyl-5-(3-methylbutyl)-4-pyrimidinolate IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-isoamyl-6-methyl-pyrimidin-4-olate Formula: C18H22BrN2O2S- MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O2S/c1-11(2)5-7-14-12(3)20-18(21-17(14)22)24-10-13-6-8-16(23-4)15(19)9-13/h6,8-9,11H,5,7,10H2,1-4H3,(H,20,21,22)/p-1