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

Systemtic Name: butyl-ethyl-[[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]azanium Openeye Name: butyl-ethyl-[(7-isobutyl-3-methyl-2,6-dioxo-purin-8-yl)methyl]ammonium CAS Name: butyl-ethyl-[[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]methyl]ammonium IUPAC Name: butyl-ethyl-[[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: butyl-ethyl-[(7-isobutyl-2,6-diketo-3-methyl-purin-8-yl)methyl]ammonium Formula: C17H30N5O2+ MolecularWeight: 336.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5O2/c1-6-8-9-21(7-2)11-13-18-15-14(22(13)10-12(3)4)16(23)19-17(24)20(15)5/h12H,6-11H2,1-5H3,(H,19,23,24)/p+1