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

Systemtic Name: 3-[[4-(methoxymethoxy)-3-nitro-phenyl]methyl]-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-[[4-(methoxymethoxy)-3-nitro-phenyl]methyl]-1,7-dimethyl-purine-2,6-dione CAS Name: 3-[[4-(methoxymethoxy)-3-nitrophenyl]methyl]-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-[[4-(methoxymethoxy)-3-nitrophenyl]methyl]-1,7-dimethylpurine-2,6-dione Traditional Name: 3-[4-(methoxymethoxy)-3-nitro-benzyl]-1,7-dimethyl-xanthine Formula: C16H17N5O6 MolecularWeight: 375.33608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC(=C(C=C3)OCOC)[N+](=O)[O-])C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC(=C(C=C3)OCOC)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O6/c1-18-8-17-14-13(18)15(22)19(2)16(23)20(14)7-10-4-5-12(27-9-26-3)11(6-10)21(24)25/h4-6,8H,7,9H2,1-3H3