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

Systemtic Name: 2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-3-(4-fluorophenyl)-5-methyl-quinazolin-4-one Openeye Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(4-fluorophenyl)-5-methyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(4-fluorophenyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(4-fluorophenyl)-5-methylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(4-fluorophenyl)-5-methyl-quinazolin-4-one Formula: C21H17FN8O MolecularWeight: 416.411083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=C(C=C3)F)CNC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=C(C=C3)F)CNC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C21H17FN8O/c1-11-3-2-4-14-16(11)20(31)30(13-7-5-12(22)6-8-13)15(27-14)9-24-18-17-19(26-10-25-17)29-21(23)28-18/h2-8,10H,9H2,1H3,(H4,23,24,25,26,28,29)