3-butyl-8-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-7-ethyl-xanthine Formula: C20H25ClFN5O2 MolecularWeight: 421.896203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=C(C=CC=C3Cl)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=C(C=CC=C3Cl)F)CC

InChI

InChI=1S/C20H25ClFN5O2/c1-4-6-10-27-18-17(19(28)24-20(27)29)26(5-2)16(23-18)12-25(3)11-13-14(21)8-7-9-15(13)22/h7-9H,4-6,10-12H2,1-3H3,(H,24,28,29)