8-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-phenyl-3H-purin-6-one

Systemtic Name: 8-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-phenyl-3H-purin-6-one Openeye Name: 8-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-phenyl-3H-purin-6-one CAS Name: 8-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methylthio]-9-phenyl-3H-purin-6-one IUPAC Name: 8-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-phenyl-3H-purin-6-one Traditional Name: 8-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylthio]-9-phenyl-3H-purin-6-one Formula: C22H16ClN5O2S MolecularWeight: 449.91274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CSC3=NC4=C(N3C5=CC=CC=C5)NC=NC4=O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CSC3=NC4=C(N3C5=CC=CC=C5)NC=NC4=O

InChI

InChI=1S/C22H16ClN5O2S/c1-13-17(26-21(30-13)14-7-9-15(23)10-8-14)11-31-22-27-18-19(24-12-25-20(18)29)28(22)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,24,25,29)