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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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