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

Systemtic Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Openeye Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-(p-tolyl)-3H-purin-6-one CAS Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-9-(4-methylphenyl)-3H-purin-6-one IUPAC Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-(4-methylphenyl)-3H-purin-6-one Traditional Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-9-(p-tolyl)-3H-purin-6-one Formula: C25H23N5O4S MolecularWeight: 489.54622

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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)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)OC)C

InChI

InChI=1S/C25H23N5O4S/c1-14-5-8-17(9-6-14)30-22-21(23(31)27-13-26-22)29-25(30)35-12-18-15(2)34-24(28-18)16-7-10-19(32-3)20(11-16)33-4/h5-11,13H,12H2,1-4H3,(H,26,27,31)