2-[(6-aminopurin-9-yl)methyl]-5-fluoranyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-5-fluoranyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-benzyl-5-fluoro-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-fluoro-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-benzyl-5-fluoroquinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-benzyl-5-fluoro-quinazolin-4-one Formula: C21H16FN7O MolecularWeight: 401.396443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=CC=C3)F)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=CC=C3)F)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C21H16FN7O/c22-14-7-4-8-15-17(14)21(30)29(9-13-5-2-1-3-6-13)16(27-15)10-28-12-26-18-19(23)24-11-25-20(18)28/h1-8,11-12H,9-10H2,(H2,23,24,25)