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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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