5-chloranyl-3-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 5-chloranyl-3-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-chloro-3-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-chloro-3-(2-fluorophenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-chloro-3-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-chloro-3-(2-fluorophenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H12ClFN6OS MolecularWeight: 438.865283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5)F

InChI

InChI=1S/C20H12ClFN6OS/c21-11-4-3-6-13-16(11)20(29)28(14-7-2-1-5-12(14)22)15(27-13)8-30-19-17-18(24-9-23-17)25-10-26-19/h1-7,9-10H,8H2,(H,23,24,25,26)