N-[(3,5-dimethoxyphenyl)methyl]-2-iodanyl-9-propan-2-yl-purin-6-amine

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-2-iodanyl-9-propan-2-yl-purin-6-amine Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-2-iodo-9-isopropyl-purin-6-amine CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-iodo-9-propan-2-yl-6-purinamine IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-2-iodo-9-propan-2-ylpurin-6-amine Traditional Name: (3,5-dimethoxybenzyl)-(2-iodo-9-isopropyl-purin-6-yl)amine Formula: C17H20IN5O2 MolecularWeight: 453.27747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20IN5O2/c1-10(2)23-9-20-14-15(21-17(18)22-16(14)23)19-8-11-5-12(24-3)7-13(6-11)25-4/h5-7,9-10H,8H2,1-4H3,(H,19,21,22)