7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(3-isopropoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(3-isopropoxypropylamino)-3-methyl-xanthine Formula: C19H24FN5O3 MolecularWeight: 389.423963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24FN5O3/c1-12(2)28-10-4-9-21-18-22-16-15(17(26)23-19(27)24(16)3)25(18)11-13-5-7-14(20)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,21,22)(H,23,26,27)