2-chloranyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 2-chloranyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 2-chloro-8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 2-chloro-8-[(2-iodo-5-methoxyphenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 2-chloro-8-(2-iodo-5-methoxyphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [2-chloro-8-[(2-iodo-5-methoxy-phenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C17H15ClIN5OS MolecularWeight: 499.75637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)Cl

InChI

InChI=1S/C17H15ClIN5OS/c1-3-4-5-8-24-15-13(14(20)22-16(18)23-15)21-17(24)26-12-9-10(25-2)6-7-11(12)19/h1,6-7,9H,4-5,8H2,2H3,(H2,20,22,23)