9-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-(3,3-dimethyl-2-oxo-butyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-8-nitro-xanthine Formula: C13H17N5O5 MolecularWeight: 323.30458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O5/c1-13(2,3)7(19)6-17-9-8(14-11(17)18(22)23)10(20)16(5)12(21)15(9)4/h6H2,1-5H3