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

Systemtic Name: 7-methyl-8-nitro-1,3-bis(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 1,3-bis(3-hydroxypropyl)-7-methyl-8-nitro-purine-2,6-dione CAS Name: 1,3-bis(3-hydroxypropyl)-7-methyl-8-nitropurine-2,6-dione IUPAC Name: 1,3-bis(3-hydroxypropyl)-7-methyl-8-nitropurine-2,6-dione Traditional Name: 1,3-bis(3-hydroxypropyl)-7-methyl-8-nitro-xanthine Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O6/c1-14-8-9(13-11(14)17(22)23)15(4-2-6-18)12(21)16(10(8)20)5-3-7-19/h18-19H,2-7H2,1H3