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

Systemtic Name: 9-ethyl-8-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Openeye Name: 9-ethyl-8-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methylsulfanyl]-3H-purin-6-one CAS Name: 9-ethyl-8-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylthio]-3H-purin-6-one IUPAC Name: 9-ethyl-8-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Traditional Name: 9-ethyl-8-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methylthio]-3H-purin-6-one Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC3=C(OC(=N3)C4=CC=CC=C4C)C

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC3=C(OC(=N3)C4=CC=CC=C4C)C

InChI

InChI=1S/C19H19N5O2S/c1-4-24-16-15(17(25)21-10-20-16)23-19(24)27-9-14-12(3)26-18(22-14)13-8-6-5-7-11(13)2/h5-8,10H,4,9H2,1-3H3,(H,20,21,25)