2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-methoxy-5-methylphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-2-[(2-methoxy-5-methyl-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N3O5S/c1-12-4-7-19(29-3)15(8-12)11-30-21-22-13(2)17(20(26)23-21)10-14-9-16(24(27)28)5-6-18(14)25/h4-9,25H,10-11H2,1-3H3,(H,22,23,26)