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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(2,5-dimethylbenzyl)-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-13-5-6-14(2)17(9-13)11-20-16(4)23-22(24-21(20)26)29-12-18-10-19(25(27)28)8-7-15(18)3/h5-10H,11-12H2,1-4H3,(H,23,24,26)