3-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propan-1-ol

Systemtic Name: 3-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propan-1-ol Openeye Name: 3-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]propan-1-ol CAS Name: 3-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]-1-propanol IUPAC Name: 3-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]propan-1-ol Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propan-1-ol Formula: C15H16IN5O2S MolecularWeight: 457.28931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCO)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCO)N=CN=C3N

InChI

InChI=1S/C15H16IN5O2S/c1-23-9-3-4-10(16)11(7-9)24-15-20-12-13(17)18-8-19-14(12)21(15)5-2-6-22/h3-4,7-8,22H,2,5-6H2,1H3,(H2,17,18,19)