2-chloranyl-N-hexyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-N-hexyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-chloro-N-hexyl-purin-6-amine CAS Name: 2-chloro-N-hexyl-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-chloro-N-hexylpurin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-hexyl-amine Formula: C18H22ClN5 MolecularWeight: 343.85378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H22ClN5/c1-2-3-4-8-11-20-16-15-17(23-18(19)22-16)24(13-21-15)12-14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,22,23)