5-[(4-methoxy-3-nitro-phenyl)methyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-4-hydroxy-5-[(4-methoxy-3-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-methoxy-3-nitrophenyl)methyl]-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-4-hydroxy-5-[(4-methoxy-3-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-benzyl-4-hydroxy-5-(4-methoxy-3-nitro-benzyl)-1H-pyrimidin-6-one Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)CC3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)CC3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-27-16-8-7-13(10-15(16)22(25)26)9-14-18(23)20-17(21-19(14)24)11-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H2,20,21,23,24)