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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C19H25FN5O2+ MolecularWeight: 374.432503

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN5O2/c1-4-5-10-25-17-16(18(26)22-19(25)27)24(3)15(21-17)12-23(2)11-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,22,26,27)/p+1