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

Systemtic Name: 7-methyl-8-nitro-1,3-bis(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1,3-diacetonyl-7-methyl-8-nitro-purine-2,6-dione CAS Name: 7-methyl-8-nitro-1,3-bis(2-oxopropyl)purine-2,6-dione IUPAC Name: 7-methyl-8-nitro-1,3-bis(2-oxopropyl)purine-2,6-dione Traditional Name: 1,3-diacetonyl-7-methyl-8-nitro-xanthine Formula: C12H13N5O6 MolecularWeight: 323.26152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O6/c1-6(18)4-15-9-8(14(3)11(13-9)17(22)23)10(20)16(12(15)21)5-7(2)19/h4-5H2,1-3H3