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

Systemtic Name: 8-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methylthio]-2,9-dimethyl-3H-purin-6-one Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O2S/c1-9-13(22-17(26-9)11-5-4-6-12(19)7-11)8-27-18-23-14-15(24(18)3)20-10(2)21-16(14)25/h4-7H,8H2,1-3H3,(H,20,21,25)