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

Systemtic Name: 9-[3-(heptylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[3-(heptylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[3-(heptylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(heptylamino)propyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-heptyl-amine Formula: C22H31IN6OS MolecularWeight: 554.49061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CCCCCCCNCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C22H31IN6OS/c1-3-4-5-6-7-11-25-12-8-13-29-21-19(20(24)26-15-27-21)28-22(29)31-18-14-16(30-2)9-10-17(18)23/h9-10,14-15,25H,3-8,11-13H2,1-2H3,(H2,24,26,27)