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

Systemtic Name: 8-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methylthio]-9-methyl-3H-purin-6-one Formula: C17H14BrN5O2S MolecularWeight: 432.29436

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O2S/c1-9-12(21-16(25-9)10-4-3-5-11(18)6-10)7-26-17-22-13-14(23(17)2)19-8-20-15(13)24/h3-6,8H,7H2,1-2H3,(H,19,20,24)