8-bromanyl-9-ethyl-2-phenethylsulfanyl-purin-6-amine

Systemtic Name: 8-bromanyl-9-ethyl-2-phenethylsulfanyl-purin-6-amine Openeye Name: 8-bromo-9-ethyl-2-phenethylsulfanyl-purin-6-amine CAS Name: 8-bromo-9-ethyl-2-(phenethylthio)-6-purinamine IUPAC Name: 8-bromo-9-ethyl-2-phenethylsulfanylpurin-6-amine Traditional Name: [8-bromo-9-ethyl-2-(phenethylthio)purin-6-yl]amine Formula: C15H16BrN5S MolecularWeight: 378.29004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)SCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)SCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C15H16BrN5S/c1-2-21-13-11(18-14(21)16)12(17)19-15(20-13)22-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,17,19,20)