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

Systemtic Name: 8-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]-2,9-dimethyl-3H-purin-6-one Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN5O3S/c1-9-13(23-18(28-9)12-7-11(20)5-6-14(12)27-4)8-29-19-24-15-16(25(19)3)21-10(2)22-17(15)26/h5-7H,8H2,1-4H3,(H,21,22,26)