3-(2-chlorophenyl)-6,7-bis(fluoranyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-6,7-bis(fluoranyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-6,7-difluoro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-6,7-difluoro-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-6,7-difluoro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-6,7-difluoro-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H11ClF2N6OS MolecularWeight: 456.855746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=CC(=C(C=C3C2=O)F)F)CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=CC(=C(C=C3C2=O)F)F)CSC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C20H11ClF2N6OS/c21-11-3-1-2-4-15(11)29-16(7-31-19-17-18(25-8-24-17)26-9-27-19)28-14-6-13(23)12(22)5-10(14)20(29)30/h1-6,8-9H,7H2,(H,24,25,26,27)