8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-3-phenethyl-purin-6-amine

Systemtic Name: 8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]-3-phenethyl-purin-6-amine Openeye Name: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-3-phenethyl-purin-6-amine CAS Name: 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-3-phenethyl-6-purinamine IUPAC Name: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-3-phenethylpurin-6-amine Traditional Name: [8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-3-phenethyl-purin-6-yl]amine Formula: C20H16IN5O2S MolecularWeight: 517.34281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N=CN(C4=N3)CCC5=CC=CC=C5)N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N=CN(C4=N3)CCC5=CC=CC=C5)N

InChI

InChI=1S/C20H16IN5O2S/c21-13-8-14-15(28-11-27-14)9-16(13)29-20-24-17-18(22)23-10-26(19(17)25-20)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11,22H2