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

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-(4-methyl-1-piperazinyl)ethyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-6-amine Traditional Name: [8-[(2-iodo-5-methoxy-phenyl)thio]-9-[2-(4-methylpiperazino)ethyl]purin-6-yl]amine Formula: C19H24IN7OS MolecularWeight: 525.40963

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=CC(=C4)OC)I

Isomeric SMILES

CN1CCN(CC1)CCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=CC(=C4)OC)I

InChI

InChI=1S/C19H24IN7OS/c1-25-5-7-26(8-6-25)9-10-27-18-16(17(21)22-12-23-18)24-19(27)29-15-11-13(28-2)3-4-14(15)20/h3-4,11-12H,5-10H2,1-2H3,(H2,21,22,23)