1,3-bis(3-methoxy-2-oxidanyl-propyl)-7-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 1,3-bis(3-methoxy-2-oxidanyl-propyl)-7-methyl-8-nitro-purine-2,6-dione Openeye Name: 1,3-bis(2-hydroxy-3-methoxy-propyl)-7-methyl-8-nitro-purine-2,6-dione CAS Name: 1,3-bis(2-hydroxy-3-methoxypropyl)-7-methyl-8-nitropurine-2,6-dione IUPAC Name: 1,3-bis(2-hydroxy-3-methoxypropyl)-7-methyl-8-nitropurine-2,6-dione Traditional Name: 1,3-bis(2-hydroxy-3-methoxy-propyl)-7-methyl-8-nitro-xanthine Formula: C14H21N5O8 MolecularWeight: 387.34524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC(COC)O)CC(COC)O

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC(COC)O)CC(COC)O

InChI

InChI=1S/C14H21N5O8/c1-16-10-11(15-13(16)19(24)25)17(4-8(20)6-26-2)14(23)18(12(10)22)5-9(21)7-27-3/h8-9,20-21H,4-7H2,1-3H3