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

Systemtic Name: 8-[4-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[3-(3-fluorophenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-[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=C(C=C3)OCC#CC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

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