5-fluoranyl-3-(phenylmethyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 5-fluoranyl-3-(phenylmethyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-5-fluoro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-fluoro-3-(phenylmethyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-benzyl-5-fluoro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-benzyl-5-fluoro-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H15FN6OS MolecularWeight: 418.446803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=CC=C3)F)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=CC=C3)F)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H15FN6OS/c22-14-7-4-8-15-17(14)21(29)28(9-13-5-2-1-3-6-13)16(27-15)10-30-20-18-19(24-11-23-18)25-12-26-20/h1-8,11-12H,9-10H2,(H,23,24,25,26)