3-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[(2-chloro-6-fluoro-phenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[(2-chloro-6-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[(2-chloro-6-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(2-chloro-6-fluoro-benzyl)-8-methylol-7-propyl-xanthine Formula: C20H24ClFN4O3 MolecularWeight: 422.880963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(C=CC=C3Cl)F)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(C=CC=C3Cl)F)N(C(=N2)CO)CCC

InChI

InChI=1S/C20H24ClFN4O3/c1-3-5-10-25-18-17(24(9-4-2)16(12-27)23-18)19(28)26(20(25)29)11-13-14(21)7-6-8-15(13)22/h6-8,27H,3-5,9-12H2,1-2H3