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

Systemtic Name: 8-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 2,9-dimethyl-8-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]-3H-purin-6-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-5-27-14-8-6-13(7-9-14)19-23-15(11(2)28-19)10-29-20-24-16-17(25(20)4)21-12(3)22-18(16)26/h6-9H,5,10H2,1-4H3,(H,21,22,26)