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

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-2-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methylthio]-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-hydroxy-5-nitro-benzyl)thio]-5-(2-methoxy-5-methyl-benzyl)-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)CC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

InChI

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