tert-butyl N-[4-[[6-[(3-iodanylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[[6-[(3-iodanylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[[6-[(3-iodophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]carbamate CAS Name: N-[4-[[6-[(3-iodophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[6-[(3-iodophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]carbamate Traditional Name: N-[4-[[6-[(3-iodobenzyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C26H36IN7O2 MolecularWeight: 605.51421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)NC4CCC(CC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)NC4CCC(CC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H36IN7O2/c1-16(2)34-15-29-21-22(28-14-17-7-6-8-18(27)13-17)32-24(33-23(21)34)30-19-9-11-20(12-10-19)31-25(35)36-26(3,4)5/h6-8,13,15-16,19-20H,9-12,14H2,1-5H3,(H,31,35)(H2,28,30,32,33)