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

Systemtic Name: 8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C26H25FN4O3 MolecularWeight: 460.500103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN4O3/c1-3-13-30-24-22(25(32)31(14-4-2)26(30)33)28-23(29-24)19-10-6-12-21(17-19)34-15-7-9-18-8-5-11-20(27)16-18/h5-6,8,10-12,16-17H,3-4,13-15H2,1-2H3,(H,28,29)