tert-butyl N-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]carbamate CAS Name: N-[2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethyl]carbamate Traditional Name: N-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl]carbamic acid tert-butyl ester Formula: C19H23IN6O3S MolecularWeight: 542.39379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C19H23IN6O3S/c1-19(2,3)29-18(27)22-7-8-26-16-14(15(21)23-10-24-16)25-17(26)30-13-9-11(28-4)5-6-12(13)20/h5-6,9-10H,7-8H2,1-4H3,(H,22,27)(H2,21,23,24)