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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

InChI

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