8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-7H-purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-7H-purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-7H-purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-7H-purin-6-amine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-[(2-iodo-5-methoxy-phenyl)thio]-7H-purin-6-yl]amine Formula: C12H10IN5OS MolecularWeight: 399.21017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C12H10IN5OS/c1-19-6-2-3-7(13)8(4-6)20-12-17-9-10(14)15-5-16-11(9)18-12/h2-5H,1H3,(H3,14,15,16,17,18)