9-(4-fluorophenyl)-7-hexyl-1,3-dimethyl-6-oxidanyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 9-(4-fluorophenyl)-7-hexyl-1,3-dimethyl-6-oxidanyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-(4-fluorophenyl)-7-hexyl-6-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 9-(4-fluorophenyl)-7-hexyl-6-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-(4-fluorophenyl)-7-hexyl-6-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 9-(4-fluorophenyl)-7-hexyl-6-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C22H24FN5O4 MolecularWeight: 441.455463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H24FN5O4/c1-4-5-6-7-8-15-18(29)27(14-11-9-13(23)10-12-14)21-24-17-16(28(21)19(15)30)20(31)26(3)22(32)25(17)2/h9-12,30H,4-8H2,1-3H3