2-chloranyl-N-[(3-iodanylphenyl)methyl]-9-[(2R)-oxolan-2-yl]purin-6-amine

Systemtic Name: 2-chloranyl-N-[(3-iodanylphenyl)methyl]-9-[(2R)-oxolan-2-yl]purin-6-amine Openeye Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-[(2R)-tetrahydrofuran-2-yl]purin-6-amine CAS Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-[(2R)-2-oxolanyl]-6-purinamine IUPAC Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-[(2R)-oxolan-2-yl]purin-6-amine Traditional Name: [2-chloro-9-[(2R)-tetrahydrofuran-2-yl]purin-6-yl]-(3-iodobenzyl)amine Formula: C16H15ClIN5O MolecularWeight: 455.68067

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl

Isomeric SMILES

C1C[C@@H](OC1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl

InChI

InChI=1S/C16H15ClIN5O/c17-16-21-14(19-8-10-3-1-4-11(18)7-10)13-15(22-16)23(9-20-13)12-5-2-6-24-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,19,21,22)/t12-/m1/s1