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

Systemtic Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-4-oxazolyl]methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-oxazol-4-yl]methylthio]-9-methyl-3H-purin-6-one Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

InChI

InChI=1S/C19H19N5O2S/c1-10-5-6-11(2)13(7-10)18-22-14(12(3)26-18)8-27-19-23-15-16(24(19)4)20-9-21-17(15)25/h5-7,9H,8H2,1-4H3,(H,20,21,25)