1-(3,3-dimethoxypropyl)-3,7-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 1-(3,3-dimethoxypropyl)-3,7-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 1-(3,3-dimethoxypropyl)-3,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 1-(3,3-dimethoxypropyl)-3,7-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 1-(3,3-dimethoxypropyl)-3,7-dimethyl-8-nitropurine-2,6-dione Traditional Name: 1-(3,3-dimethoxypropyl)-3,7-dimethyl-8-nitro-xanthine Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCC(OC)OC)C

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCC(OC)OC)C

InChI

InChI=1S/C12H17N5O6/c1-14-8-9(13-11(14)17(20)21)15(2)12(19)16(10(8)18)6-5-7(22-3)23-4/h7H,5-6H2,1-4H3