1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 1-[(3-fluorophenyl)methyl]-8-(3-isopropoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 1-(3-fluorobenzyl)-8-(3-isopropoxypropylamino)-3,7-dimethyl-xanthine Formula: C20H26FN5O3 MolecularWeight: 403.450543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H26FN5O3/c1-13(2)29-10-6-9-22-19-23-17-16(24(19)3)18(27)26(20(28)25(17)4)12-14-7-5-8-15(21)11-14/h5,7-8,11,13H,6,9-10,12H2,1-4H3,(H,22,23)