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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3F)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3F)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H15FN6OS/c1-12-6-7-15-13(8-12)21(29)28(16-5-3-2-4-14(16)22)17(27-15)9-30-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)