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

Systemtic Name: 2-chloranyl-N-[(3-iodanylphenyl)methyl]-9-(thiolan-3-yl)purin-6-amine Openeye Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-tetrahydrothiophen-3-yl-purin-6-amine CAS Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-(3-thiolanyl)-6-purinamine IUPAC Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-(thiolan-3-yl)purin-6-amine Traditional Name: (2-chloro-9-tetrahydrothiophen-3-yl-purin-6-yl)-(3-iodobenzyl)amine Formula: C16H15ClIN5S MolecularWeight: 471.74627

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl

Isomeric SMILES

C1CSCC1N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl

InChI

InChI=1S/C16H15ClIN5S/c17-16-21-14(19-7-10-2-1-3-11(18)6-10)13-15(22-16)23(9-20-13)12-4-5-24-8-12/h1-3,6,9,12H,4-5,7-8H2,(H,19,21,22)