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

Systemtic Name: 8-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 9-methyl-8-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methylthio]-3H-purin-6-one Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

InChI

InChI=1S/C19H19N5O3S/c1-4-26-14-8-6-5-7-12(14)18-22-13(11(2)27-18)9-28-19-23-15-16(24(19)3)20-10-21-17(15)25/h5-8,10H,4,9H2,1-3H3,(H,20,21,25)