5-[(2-methoxy-5-methyl-phenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-methylphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-methylphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-methyl-benzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-13-5-7-19(29-3)16(9-13)11-17-14(2)23-22(24-21(17)26)31-12-15-6-8-20(30-4)18(10-15)25(27)28/h5-10H,11-12H2,1-4H3,(H,23,24,26)