2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)quinazolin-4-one Openeye Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)quinazolin-4-one CAS Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)quinazolin-4-one Traditional Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)quinazolin-4-one Formula: C21H17FN8O MolecularWeight: 416.411083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN8O/c1-11(26-18-16-17(25-10-24-16)28-21(23)29-18)19-27-15-8-3-2-7-14(15)20(31)30(19)13-6-4-5-12(22)9-13/h2-11H,1H3,(H4,23,24,25,26,28,29)