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

Systemtic Name: 3-(3-methoxy-2-oxidanyl-propyl)-7-methyl-8-nitro-purine-2,6-dione Openeye Name: 3-(2-hydroxy-3-methoxy-propyl)-7-methyl-8-nitro-purine-2,6-dione CAS Name: 3-(2-hydroxy-3-methoxypropyl)-7-methyl-8-nitropurine-2,6-dione IUPAC Name: 3-(2-hydroxy-3-methoxypropyl)-7-methyl-8-nitropurine-2,6-dione Traditional Name: 3-(2-hydroxy-3-methoxy-propyl)-7-methyl-8-nitro-xanthine Formula: C10H13N5O6 MolecularWeight: 299.24012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)CC(COC)O

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)CC(COC)O

InChI

InChI=1S/C10H13N5O6/c1-13-6-7(11-9(13)15(19)20)14(3-5(16)4-21-2)10(18)12-8(6)17/h5,16H,3-4H2,1-2H3,(H,12,17,18)