3-ethyl-1,7-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 3-ethyl-1,7-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 3-ethyl-1,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 3-ethyl-1,7-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 3-ethyl-1,7-dimethyl-8-nitropurine-2,6-dione Traditional Name: 3-ethyl-1,7-dimethyl-8-nitro-xanthine Formula: C9H11N5O4 MolecularWeight: 253.21474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C9H11N5O4/c1-4-13-6-5(7(15)12(3)9(13)16)11(2)8(10-6)14(17)18/h4H2,1-3H3