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

Systemtic Name: [1-[6-[(3-iodanylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]pyrrolidin-2-yl]methanol Openeye Name: [1-[6-[(3-iodophenyl)methylamino]-9-isopropyl-purin-2-yl]pyrrolidin-2-yl]methanol CAS Name: [1-[6-[(3-iodophenyl)methylamino]-9-propan-2-yl-2-purinyl]-2-pyrrolidinyl]methanol IUPAC Name: [1-[6-[(3-iodophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol Traditional Name: [1-[6-[(3-iodobenzyl)amino]-9-isopropyl-purin-2-yl]pyrrolidin-2-yl]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)N4CCCC4CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)N4CCCC4CO

InChI

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