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

Systemtic Name: 1,3-dimethyl-8-nitro-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-nitro-xanthine Formula: C10H13N5O5 MolecularWeight: 283.24072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCCO

InChI

InChI=1S/C10H13N5O5/c1-12-7-6(8(17)13(2)10(12)18)14(4-3-5-16)9(11-7)15(19)20/h16H,3-5H2,1-2H3