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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3-isopropoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3-isopropoxypropylamino)-1,3-dimethyl-xanthine Formula: C20H25ClFN5O3 MolecularWeight: 437.895603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H25ClFN5O3/c1-12(2)30-10-6-9-23-19-24-17-16(18(28)26(4)20(29)25(17)3)27(19)11-13-14(21)7-5-8-15(13)22/h5,7-8,12H,6,9-11H2,1-4H3,(H,23,24)