9-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-m-anisyl-1,3-dimethyl-8-nitro-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(N2CC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

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