3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione

Systemtic Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 3-[(4-fluorophenyl)methyl]-8-(isobutylamino)-1,7-dimethyl-purine-2,6-dione CAS Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 3-(4-fluorobenzyl)-8-(isobutylamino)-1,7-dimethyl-xanthine Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H22FN5O2/c1-11(2)9-20-17-21-15-14(22(17)3)16(25)23(4)18(26)24(15)10-12-5-7-13(19)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,20,21)