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5-butyl-2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one
5-butyl-2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=C(NC(=NC1=O)C)C=CC2=CC(=CC=C2)[N+](=O)[O-]
Isomeric SMILES
CCCCC1=C(NC(=NC1=O)C)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H19N3O3/c1-3-4-8-15-16(18-12(2)19-17(15)21)10-9-13-6-5-7-14(11-13)20(22)23/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,19,21)/b10-9+
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- 5-[(2,4-dimethylphenyl)methyl]-2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one
