6,7-bis(fluoranyl)-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 6,7-bis(fluoranyl)-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 6,7-difluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 6,7-difluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 6,7-difluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 6,7-difluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C21H15F2N7O MolecularWeight: 419.386906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3)F)F)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC(C1=NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3)F)F)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H15F2N7O/c1-11(28-19-17-18(25-9-24-17)26-10-27-19)20-29-16-8-15(23)14(22)7-13(16)21(31)30(20)12-5-3-2-4-6-12/h2-11H,1H3,(H2,24,25,26,27,28)