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

Systemtic Name: 1,3-dimethyl-8-nitro-7-(3-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(3-hydroxyhexyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-(3-hydroxyhexyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-(3-hydroxyhexyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(3-hydroxyhexyl)-1,3-dimethyl-8-nitro-xanthine Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

CCCC(CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C13H19N5O5/c1-4-5-8(19)6-7-17-9-10(14-12(17)18(22)23)15(2)13(21)16(3)11(9)20/h8,19H,4-7H2,1-3H3