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

Systemtic Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-2,9-dimethyl-3H-purin-6-one Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSC3=NC4=C(N3C)NC(=NC4=O)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CSC3=NC4=C(N3C)NC(=NC4=O)C

InChI

InChI=1S/C20H21N5O4S/c1-10-13(23-19(29-10)12-6-7-14(27-4)15(8-12)28-5)9-30-20-24-16-17(25(20)3)21-11(2)22-18(16)26/h6-8H,9H2,1-5H3,(H,21,22,26)