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

Systemtic Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 7-[(3-fluorophenyl)methyl]-8-(isopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-(3-fluorobenzyl)-8-(isoamylamino)-1,3-dimethyl-xanthine Formula: C19H24FN5O2 MolecularWeight: 373.424563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CC3=CC(=CC=C3)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1CC3=CC(=CC=C3)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24FN5O2/c1-12(2)8-9-21-18-22-16-15(17(26)24(4)19(27)23(16)3)25(18)11-13-6-5-7-14(20)10-13/h5-7,10,12H,8-9,11H2,1-4H3,(H,21,22)