[(2R)-2-[6-[(3-iodanylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]pyrrolidin-1-yl]methanol

Systemtic Name: [(2R)-2-[6-[(3-iodanylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]pyrrolidin-1-yl]methanol Openeye Name: [(2R)-2-[6-[(3-iodophenyl)methylamino]-9-isopropyl-purin-2-yl]pyrrolidin-1-yl]methanol CAS Name: [(2R)-2-[6-[(3-iodophenyl)methylamino]-9-propan-2-yl-2-purinyl]-1-pyrrolidinyl]methanol IUPAC Name: [(2R)-2-[6-[(3-iodophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-1-yl]methanol Traditional Name: [(2R)-2-[6-[(3-iodobenzyl)amino]-9-isopropyl-purin-2-yl]pyrrolidino]methanol Formula: C20H25IN6O MolecularWeight: 492.35657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)C4CCCN4CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)[C@H]4CCCN4CO

InChI

InChI=1S/C20H25IN6O/c1-13(2)27-11-23-17-19(22-10-14-5-3-6-15(21)9-14)24-18(25-20(17)27)16-7-4-8-26(16)12-28/h3,5-6,9,11,13,16,28H,4,7-8,10,12H2,1-2H3,(H,22,24,25)/t16-/m1/s1