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

Systemtic Name: 1-[2-(4-fluoranylphenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[2-(4-fluorophenoxy)ethyl]-3,7-diisobutyl-purine-2,6-dione CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(4-fluorophenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-[2-(4-fluorophenoxy)ethyl]-3,7-diisobutyl-xanthine Formula: C21H27FN4O3 MolecularWeight: 402.462483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4O3/c1-14(2)11-24-13-23-19-18(24)20(27)25(21(28)26(19)12-15(3)4)9-10-29-17-7-5-16(22)6-8-17/h5-8,13-15H,9-12H2,1-4H3