1-[(2-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purin-3-ium-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purin-3-ium-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-8-(3-isopropoxypropylamino)-3-methyl-purin-3-ium-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purin-3-ium-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purin-3-ium-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-8-(3-isopropoxypropylamino)-3-methyl-purin-3-ium-2,6-quinone Formula: C19H23FN5O3+ MolecularWeight: 388.416023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=[N+](C(=O)N(C(=O)C2=N1)CC3=CC=CC=C3F)C

Isomeric SMILES

CC(C)OCCCNC1=NC2=[N+](C(=O)N(C(=O)C2=N1)CC3=CC=CC=C3F)C

InChI

InChI=1S/C19H22FN5O3/c1-12(2)28-10-6-9-21-18-22-15-16(23-18)24(3)19(27)25(17(15)26)11-13-7-4-5-8-14(13)20/h4-5,7-8,12H,6,9-11H2,1-3H3/p+1