3-[2-(2-fluorophenyl)ethyl]-1-propyl-8-(pyrazin-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(2-fluorophenyl)ethyl]-1-propyl-8-(pyrazin-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(2-fluorophenyl)ethyl]-1-propyl-8-(pyrazin-2-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(2-fluorophenyl)ethyl]-1-propyl-8-(2-pyrazinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-fluorophenyl)ethyl]-1-propyl-8-(pyrazin-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(2-fluorophenyl)ethyl]-1-propyl-8-(pyrazin-2-ylmethyl)-7H-purine-2,6-quinone Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3)N(C1=O)CCC4=CC=CC=C4F

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=NC=CN=C3)N(C1=O)CCC4=CC=CC=C4F

InChI

InChI=1S/C21H21FN6O2/c1-2-10-28-20(29)18-19(26-17(25-18)12-15-13-23-8-9-24-15)27(21(28)30)11-7-14-5-3-4-6-16(14)22/h3-6,8-9,13H,2,7,10-12H2,1H3,(H,25,26)