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

Systemtic Name: 1,7-dimethyl-8-nitro-3-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 3-acetonyl-1,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 1,7-dimethyl-8-nitro-3-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,7-dimethyl-8-nitro-3-(2-oxopropyl)purine-2,6-dione Traditional Name: 3-acetonyl-1,7-dimethyl-8-nitro-xanthine Formula: C10H11N5O5 MolecularWeight: 281.22484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N5O5/c1-5(16)4-14-7-6(8(17)13(3)10(14)18)12(2)9(11-7)15(19)20/h4H2,1-3H3