5-fluoranyl-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one

Systemtic Name: 5-fluoranyl-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one Openeye Name: 5-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one CAS Name: 5-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]-4-quinazolinone IUPAC Name: 5-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one Traditional Name: 5-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one Formula: C22H18FN7O MolecularWeight: 415.423023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)