7-[(4-methoxy-3-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-methoxy-3-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-methoxy-3-nitro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-methoxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-methoxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-methoxy-3-nitro-benzyl)-1,3-dimethyl-xanthine Formula: C15H15N5O5 MolecularWeight: 345.3101

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O5/c1-17-13-12(14(21)18(2)15(17)22)19(8-16-13)7-9-4-5-11(25-3)10(6-9)20(23)24/h4-6,8H,7H2,1-3H3