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

Systemtic Name: 8-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Openeye Name: 8-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-(p-tolyl)-3H-purin-6-one CAS Name: 8-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methylthio]-9-(4-methylphenyl)-3H-purin-6-one IUPAC Name: 8-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Traditional Name: 8-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylthio]-9-(p-tolyl)-3H-purin-6-one Formula: C23H18ClN5O2S MolecularWeight: 463.93932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(OC(=N4)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(OC(=N4)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C23H18ClN5O2S/c1-13-3-9-17(10-4-13)29-20-19(21(30)26-12-25-20)28-23(29)32-11-18-14(2)31-22(27-18)15-5-7-16(24)8-6-15/h3-10,12H,11H2,1-2H3,(H,25,26,30)