tert-butyl N-[3-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propyl]-N-propan-2-yl-carbamate

Systemtic Name: tert-butyl N-[3-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propyl]-N-propan-2-yl-carbamate Openeye Name: tert-butyl N-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propyl]-N-isopropyl-carbamate CAS Name: N-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]propyl]-N-propan-2-ylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propyl]-N-propan-2-ylcarbamate Traditional Name: N-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]propyl]-N-isopropyl-carbamic acid tert-butyl ester Formula: C23H29IN6O4S MolecularWeight: 612.48363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C4C(=C3)OCO4)I)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C4C(=C3)OCO4)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29IN6O4S/c1-13(2)29(22(31)34-23(3,4)5)7-6-8-30-20-18(19(25)26-11-27-20)28-21(30)35-17-10-16-15(9-14(17)24)32-12-33-16/h9-11,13H,6-8,12H2,1-5H3,(H2,25,26,27)