8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[3-(4-methyl-1-piperazinyl)propyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine Traditional Name: [8-[(2-iodo-5-methoxy-phenyl)thio]-9-[3-(4-methylpiperazino)propyl]purin-6-yl]amine Formula: C20H26IN7OS MolecularWeight: 539.43621

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=CC(=C4)OC)I

Isomeric SMILES

CN1CCN(CC1)CCCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=CC(=C4)OC)I

InChI

InChI=1S/C20H26IN7OS/c1-26-8-10-27(11-9-26)6-3-7-28-19-17(18(22)23-13-24-19)25-20(28)30-16-12-14(29-2)4-5-15(16)21/h4-5,12-13H,3,6-11H2,1-2H3,(H2,22,23,24)