3-butyl-8-[3-(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-keto-propyl]xanthine Formula: C26H34FN5O3 MolecularWeight: 483.578263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC4=C3C(=CC=C4)F

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCC4=C3C(=CC=C4)F

InChI

InChI=1S/C26H34FN5O3/c1-3-5-7-16-30-20(28-24-23(30)25(34)29-26(35)32(24)15-6-4-2)13-14-21(33)31-17-9-11-18-10-8-12-19(27)22(18)31/h8,10,12H,3-7,9,11,13-17H2,1-2H3,(H,29,34,35)