8-(2-iodanyl-3,4,5-trimethoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-(2-iodanyl-3,4,5-trimethoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(2-iodo-3,4,5-trimethoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2-iodo-3,4,5-trimethoxyphenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(2-iodo-3,4,5-trimethoxyphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(2-iodo-3,4,5-trimethoxy-phenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C19H20IN5O3S MolecularWeight: 525.36327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1OC)OC)I)SC2=NC3=C(N2CCCC#C)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C(=C1OC)OC)I)SC2=NC3=C(N2CCCC#C)N=CN=C3N

InChI

InChI=1S/C19H20IN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23)