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

Systemtic Name: 8-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Openeye Name: 8-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-(p-tolyl)-3H-purin-6-one CAS Name: 8-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-9-(4-methylphenyl)-3H-purin-6-one IUPAC Name: 8-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Traditional Name: 8-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-9-(p-tolyl)-3H-purin-6-one Formula: C24H21N5O3S MolecularWeight: 459.52024

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O3S/c1-14-4-8-17(9-5-14)29-21-20(22(30)26-13-25-21)28-24(29)33-12-19-15(2)32-23(27-19)16-6-10-18(31-3)11-7-16/h4-11,13H,12H2,1-3H3,(H,25,26,30)