8-[(E)-2-(2-fluorophenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2-fluorophenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(2-fluorophenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(2-fluorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(2-fluorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(2-fluorophenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C20H23FN4O2 MolecularWeight: 370.420623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC=CC=C3F)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC=CC=C3F)C

InChI

InChI=1S/C20H23FN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-10-14-8-6-7-9-15(14)21/h6-11H,4-5,12-13H2,1-3H3/b11-10+