8-(cyclohexylamino)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(2-fluorobenzyl)-3-propyl-xanthine Formula: C23H30FN5O2 MolecularWeight: 427.515003

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H30FN5O2/c1-3-14-28-20-19(21(30)27(4-2)23(28)31)29(15-16-10-8-9-13-18(16)24)22(26-20)25-17-11-6-5-7-12-17/h8-10,13,17H,3-7,11-12,14-15H2,1-2H3,(H,25,26)