9-[2-(cyclopropylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(cyclopropylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(cyclopropylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(cyclopropylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(cyclopropylamino)ethyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-cyclopropyl-amine Formula: C17H19IN6OS MolecularWeight: 482.34183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CC4)N=CN=C3N

InChI

InChI=1S/C17H19IN6OS/c1-25-11-4-5-12(18)13(8-11)26-17-23-14-15(19)21-9-22-16(14)24(17)7-6-20-10-2-3-10/h4-5,8-10,20H,2-3,6-7H2,1H3,(H2,19,21,22)