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

Systemtic Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-4-oxazolyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[2-(2,5-dimethylphenyl)-5-methyl-oxazol-4-yl]methylthio]-2,9-dimethyl-3H-purin-6-one Formula: C20H21N5O2S MolecularWeight: 395.47804

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-10-6-7-11(2)14(8-10)19-23-15(12(3)27-19)9-28-20-24-16-17(25(20)5)21-13(4)22-18(16)26/h6-8H,9H2,1-5H3,(H,21,22,26)