8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(methylamino)propyl]purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(methylamino)propyl]purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[3-(methylamino)propyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[3-(methylamino)propyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[3-(methylamino)propyl]purin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-methyl-amine Formula: C16H19IN6OS MolecularWeight: 470.33113

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CNCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C16H19IN6OS/c1-19-6-3-7-23-15-13(14(18)20-9-21-15)22-16(23)25-12-8-10(24-2)4-5-11(12)17/h4-5,8-9,19H,3,6-7H2,1-2H3,(H2,18,20,21)