7-hexyl-3-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-nitro-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-nitro-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-nitropurine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-nitropurine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-nitro-xanthine Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C12H17N5O4/c1-3-4-5-6-7-16-8-9(13-11(16)17(20)21)15(2)12(19)14-10(8)18/h3-7H2,1-2H3,(H,14,18,19)