butyl-ethyl-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-oxidanylidenepropyl)purin-8-yl]methyl]azanium

Systemtic Name: butyl-ethyl-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-oxidanylidenepropyl)purin-8-yl]methyl]azanium Openeye Name: (7-acetonyl-3-methyl-2,6-dioxo-purin-8-yl)methyl-butyl-ethyl-ammonium CAS Name: butyl-ethyl-[[3-methyl-2,6-dioxo-7-(2-oxopropyl)-8-purinyl]methyl]ammonium IUPAC Name: butyl-ethyl-[[3-methyl-2,6-dioxo-7-(2-oxopropyl)purin-8-yl]methyl]azanium Traditional Name: (7-acetonyl-2,6-diketo-3-methyl-purin-8-yl)methyl-butyl-ethyl-ammonium Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=NC2=C(N1CC(=O)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCC[NH+](CC)CC1=NC2=C(N1CC(=O)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H25N5O3/c1-5-7-8-20(6-2)10-12-17-14-13(21(12)9-11(3)22)15(23)18-16(24)19(14)4/h5-10H2,1-4H3,(H,18,23,24)/p+1