[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](C)CC3=CC=C(C=C3)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](C)CC3=CC=C(C=C3)F)CC

InChI

InChI=1S/C20H26FN5O2/c1-4-6-11-26-18-17(19(27)23-20(26)28)25(5-2)16(22-18)13-24(3)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H,23,27,28)/p+1