8-[6-[3-(4-fluorophenyl)prop-2-ynoxy]pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[6-[3-(4-fluorophenyl)prop-2-ynoxy]pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[6-[3-(4-fluorophenyl)prop-2-ynoxy]-3-pyridyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[6-[3-(4-fluorophenyl)prop-2-ynoxy]-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[6-[3-(4-fluorophenyl)prop-2-ynoxy]pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[6-[3-(4-fluorophenyl)prop-2-ynoxy]-3-pyridyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C25H24FN5O3 MolecularWeight: 461.488163

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)OCC#CC4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)OCC#CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN5O3/c1-3-13-30-23-21(24(32)31(14-4-2)25(30)33)28-22(29-23)18-9-12-20(27-16-18)34-15-5-6-17-7-10-19(26)11-8-17/h7-12,16H,3-4,13-15H2,1-2H3,(H,28,29)