1-[(4-fluorophenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3,7-diisobutyl-purine-2,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-(4-fluorobenzyl)-3,7-diisobutyl-xanthine Formula: C20H25FN4O2 MolecularWeight: 372.436503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O2/c1-13(2)9-23-12-22-18-17(23)19(26)25(20(27)24(18)10-14(3)4)11-15-5-7-16(21)8-6-15/h5-8,12-14H,9-11H2,1-4H3