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

Systemtic Name: 8-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-ethyl-3H-purin-6-one Openeye Name: 8-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-ethyl-3H-purin-6-one CAS Name: 8-[[2-(2-chlorophenyl)-5-methyl-4-oxazolyl]methylthio]-9-ethyl-3H-purin-6-one IUPAC Name: 8-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-ethyl-3H-purin-6-one Traditional Name: 8-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methylthio]-9-ethyl-3H-purin-6-one Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC3=C(OC(=N3)C4=CC=CC=C4Cl)C

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC3=C(OC(=N3)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C18H16ClN5O2S/c1-3-24-15-14(16(25)21-9-20-15)23-18(24)27-8-13-10(2)26-17(22-13)11-6-4-5-7-12(11)19/h4-7,9H,3,8H2,1-2H3,(H,20,21,25)