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

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-(2-hydroxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O4/c1-12-16(11-14-10-15(22(25)26)7-8-17(14)23)19(24)21-18(20-12)9-13-5-3-2-4-6-13/h2-8,10,23H,9,11H2,1H3,(H,20,21,24)