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

Systemtic Name: 5-[(2,4-dimethylphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(2,4-dimethylphenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[(2,4-dimethylphenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(2,4-dimethylphenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(2,4-dimethylbenzyl)-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-12-4-6-15(14(3)8-12)10-18-19(25)22-21(23-20(18)26)29-11-16-9-17(24(27)28)7-5-13(16)2/h4-9H,10-11H2,1-3H3,(H2,22,23,25,26)