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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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