6-(2-chlorophenyl)-3-fluoranyl-10-(oxan-4-ylamino)purino[9,8-a]quinazolin-5-one

Systemtic Name: 6-(2-chlorophenyl)-3-fluoranyl-10-(oxan-4-ylamino)purino[9,8-a]quinazolin-5-one Openeye Name: 6-(2-chlorophenyl)-3-fluoro-10-(tetrahydropyran-4-ylamino)purino[9,8-a]quinazolin-5-one CAS Name: 6-(2-chlorophenyl)-3-fluoro-10-(4-oxanylamino)-5-purino[9,8-a]quinazolinone IUPAC Name: 6-(2-chlorophenyl)-3-fluoro-10-(oxan-4-ylamino)purino[9,8-a]quinazolin-5-one Traditional Name: 6-(2-chlorophenyl)-3-fluoro-10-(tetrahydropyran-4-ylamino)purino[9,8-a]quinazolin-5-one Formula: C23H18ClFN6O2 MolecularWeight: 464.879423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC=C3C(=N2)N4C5=C(C=C(C=C5)F)C(=O)N(C4=N3)C6=CC=CC=C6Cl

Isomeric SMILES

C1COCCC1NC2=NC=C3C(=N2)N4C5=C(C=C(C=C5)F)C(=O)N(C4=N3)C6=CC=CC=C6Cl

InChI

InChI=1S/C23H18ClFN6O2/c24-16-3-1-2-4-19(16)31-21(32)15-11-13(25)5-6-18(15)30-20-17(28-23(30)31)12-26-22(29-20)27-14-7-9-33-10-8-14/h1-6,11-12,14H,7-10H2,(H,26,27,29)