3-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propyl ethanoate

Systemtic Name: 3-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl ester Formula: C17H18IN5O3S MolecularWeight: 499.32599

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C17H18IN5O3S/c1-10(24)26-7-3-6-23-16-14(15(19)20-9-21-16)22-17(23)27-13-8-11(25-2)4-5-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H2,19,20,21)