N,N-diethyl-1,3,7-trimethyl-9-oxidanidyl-2,6-bis(oxidanylidene)purin-9-ium-8-amine oxide

Systemtic Name: N,N-diethyl-1,3,7-trimethyl-9-oxidanidyl-2,6-bis(oxidanylidene)purin-9-ium-8-amine oxide Openeye Name: N,N-diethyl-1,3,7-trimethyl-9-oxido-2,6-dioxo-purin-9-ium-8-amine oxide CAS Name: N,N-diethyl-1,3,7-trimethyl-9-oxido-2,6-dioxo-8-purin-9-iumamine oxide IUPAC Name: N,N-diethyl-1,3,7-trimethyl-9-oxido-2,6-dioxopurin-9-ium-8-amine oxide Traditional Name: N,N-diethyl-2,6-diketo-1,3,7-trimethyl-9-oxido-purin-9-ium-8-amine oxide Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1=[N+](C2=C(N1C)C(=O)N(C(=O)N2C)C)[O-])[O-]

Isomeric SMILES

CC[N+](CC)(C1=[N+](C2=C(N1C)C(=O)N(C(=O)N2C)C)[O-])[O-]

InChI

InChI=1S/C12H19N5O4/c1-6-17(21,7-2)11-13(3)8-9(16(11)20)14(4)12(19)15(5)10(8)18/h6-7H2,1-5H3