2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-5-methyl-quinazolin-4-one

Systemtic Name: 2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-5-methyl-quinazolin-4-one Openeye Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-5-methyl-quinazolin-4-one CAS Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-5-methylquinazolin-4-one Traditional Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3-fluorophenyl)-5-methyl-quinazolin-4-one Formula: C22H19FN8O MolecularWeight: 430.437663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN8O/c1-11-5-3-8-15-16(11)21(32)31(14-7-4-6-13(23)9-14)20(28-15)12(2)27-19-17-18(26-10-25-17)29-22(24)30-19/h3-10,12H,1-2H3,(H4,24,25,26,27,29,30)