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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O)OC

InChI

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