9-[3-[2-[(4-chloranylphenoxy)methyl]piperidin-1-yl]propyl]purin-6-amine

Systemtic Name: 9-[3-[2-[(4-chloranylphenoxy)methyl]piperidin-1-yl]propyl]purin-6-amine Openeye Name: 9-[3-[2-[(4-chlorophenoxy)methyl]-1-piperidyl]propyl]purin-6-amine CAS Name: 9-[3-[2-[(4-chlorophenoxy)methyl]-1-piperidinyl]propyl]-6-purinamine IUPAC Name: 9-[3-[2-[(4-chlorophenoxy)methyl]piperidin-1-yl]propyl]purin-6-amine Traditional Name: [9-[3-[2-[(4-chlorophenoxy)methyl]piperidino]propyl]purin-6-yl]amine Formula: C20H25ClN6O MolecularWeight: 400.9051

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)COC2=CC=C(C=C2)Cl)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CCN(C(C1)COC2=CC=C(C=C2)Cl)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H25ClN6O/c21-15-5-7-17(8-6-15)28-12-16-4-1-2-9-26(16)10-3-11-27-14-25-18-19(22)23-13-24-20(18)27/h5-8,13-14,16H,1-4,9-12H2,(H2,22,23,24)