tert-butyl 4-[3-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]propylamino]piperidine-1-carboxylate CAS Name: 4-[3-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]propylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]propylamino]piperidine-1-carboxylate Traditional Name: 4-[3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34IN7O3S MolecularWeight: 639.55203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NCCCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=CC(=C4)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NCCCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=CC(=C4)OC)I

InChI

InChI=1S/C25H34IN7O3S/c1-25(2,3)36-24(34)32-12-8-16(9-13-32)28-10-5-11-33-22-20(21(27)29-15-30-22)31-23(33)37-19-14-17(35-4)6-7-18(19)26/h6-7,14-16,28H,5,8-13H2,1-4H3,(H2,27,29,30)