8-bromanyl-2-butylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-butylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-butylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(butylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-butylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(butylthio)purin-6-yl]amine Formula: C16H18BrN5S MolecularWeight: 392.31662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C16H18BrN5S/c1-2-3-9-23-16-20-13(18)12-14(21-16)22(15(17)19-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,18,20,21)