9-(2-chloroethyl)-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-(2-chloroethyl)-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-(2-chloroethyl)-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-(2-chloroethyl)-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-(2-chloroethyl)-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-(2-chloroethyl)-8-[(2-iodo-5-methoxy-phenyl)thio]purin-6-yl]amine Formula: C14H13ClIN5OS MolecularWeight: 461.70839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCl)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCl)N=CN=C3N

InChI

InChI=1S/C14H13ClIN5OS/c1-22-8-2-3-9(16)10(6-8)23-14-20-11-12(17)18-7-19-13(11)21(14)5-4-15/h2-3,6-7H,4-5H2,1H3,(H2,17,18,19)