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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-13-5-7-17(14(2)9-13)12-30-22-23-15(3)18(21(26)24-22)10-16-6-8-20(29-4)19(11-16)25(27)28/h5-9,11H,10,12H2,1-4H3,(H,23,24,26)