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

Systemtic Name: 8-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]-2,9-dimethyl-3H-purin-6-one Formula: C21H23N5O4S MolecularWeight: 441.50342

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-6-29-15-8-7-13(9-16(15)28-5)20-24-14(11(2)30-20)10-31-21-25-17-18(26(21)4)22-12(3)23-19(17)27/h7-9H,6,10H2,1-5H3,(H,22,23,27)