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8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purine-2,6-diamine

8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purine-2,6-diamine

Systemtic Name:8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purine-2,6-diamine
Openeye Name:8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purine-2,6-diamine
CAS Name:8-[(2-iodo-5-methoxyphenyl)thio]-9-pent-4-ynylpurine-2,6-diamine
IUPAC Name:8-(2-iodo-5-methoxyphenyl)sulfanyl-9-pent-4-ynylpurine-2,6-diamine
Traditional Name:[2-amino-8-[(2-iodo-5-methoxy-phenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine
Formula: C17H17IN6OS
MolecularWeight: 480.32595
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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)N


Isomeric SMILES

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


InChI

InChI=1S/C17H17IN6OS/c1-3-4-5-8-24-15-13(14(19)22-16(20)23-15)21-17(24)26-12-9-10(25-2)6-7-11(12)18/h1,6-7,9H,4-5,8H2,2H3,(H4,19,20,22,23)


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