2-chloranyl-N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 2-chloranyl-N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-[(3-benzyloxyphenyl)methyl]-2-chloro-N,N-dimethyl-purin-6-amine CAS Name: 2-chloro-N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-(3-benzoxybenzyl)-2-chloro-purin-6-yl]-dimethyl-amine Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=CC=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=CC=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O/c1-26(2)19-18-20(25-21(22)24-19)27(14-23-18)12-16-9-6-10-17(11-16)28-13-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3