5-chloranyl-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 5-chloranyl-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C21H15ClFN7O MolecularWeight: 435.841503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClFN7O/c1-11(28-19-17-18(25-9-24-17)26-10-27-19)20-29-15-7-3-6-14(22)16(15)21(31)30(20)13-5-2-4-12(23)8-13/h2-11H,1H3,(H2,24,25,26,27,28)