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

Systemtic Name: 5-methyl-3-phenyl-2-[3,3,3-tris(fluoranyl)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one Openeye Name: 5-methyl-3-phenyl-2-[3,3,3-trifluoro-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one CAS Name: 5-methyl-3-phenyl-2-[3,3,3-trifluoro-1-(7H-purin-6-ylamino)propyl]-4-quinazolinone IUPAC Name: 5-methyl-3-phenyl-2-[3,3,3-trifluoro-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one Traditional Name: 5-methyl-3-phenyl-2-[3,3,3-trifluoro-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one Formula: C23H18F3N7O MolecularWeight: 465.43053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CC(F)(F)F)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CC(F)(F)F)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H18F3N7O/c1-13-6-5-9-15-17(13)22(34)33(14-7-3-2-4-8-14)21(32-15)16(10-23(24,25)26)31-20-18-19(28-11-27-18)29-12-30-20/h2-9,11-12,16H,10H2,1H3,(H2,27,28,29,30,31)