N-butyl-N-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]butan-1-amine oxide

Systemtic Name: N-butyl-N-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]butan-1-amine oxide Openeye Name: N-butyl-N-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methyl]butan-1-amine oxide CAS Name: N-butyl-N-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methyl]-1-butanamine oxide IUPAC Name: N-butyl-N-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl]butan-1-amine oxide Traditional Name: N-butyl-N-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methyl]butan-1-amine oxide Formula: C17H29N5O3 MolecularWeight: 351.44386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)[O-]

InChI

InChI=1S/C17H29N5O3/c1-6-8-10-22(25,11-9-7-2)12-13-18-15-14(19(13)3)16(23)21(5)17(24)20(15)4/h6-12H2,1-5H3