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

Systemtic Name: 8-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]-9-methyl-3H-purin-6-one Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CSC3=NC4=C(N3C)NC=NC4=O

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CSC3=NC4=C(N3C)NC=NC4=O

InChI

InChI=1S/C18H16BrN5O3S/c1-9-12(22-17(27-9)11-6-10(19)4-5-13(11)26-3)7-28-18-23-14-15(24(18)2)20-8-21-16(14)25/h4-6,8H,7H2,1-3H3,(H,20,21,25)