8-(3-fluorophenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3-fluorophenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(3-fluorophenyl)-7-propyl-purine-2,6-dione CAS Name: 8-(3-fluorophenyl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(3-fluorophenyl)-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-(3-fluorophenyl)-7-propyl-xanthine Formula: C21H19FN4O2 MolecularWeight: 378.399563

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H19FN4O2/c1-2-11-25-17-19(23-18(25)15-9-6-10-16(22)12-15)26(21(28)24-20(17)27)13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,24,27,28)