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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=CC=C2Cl)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CN(CCC1COC2=CC=CC=C2Cl)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H25ClN6O/c21-16-4-1-2-5-17(16)28-12-15-6-10-26(11-7-15)8-3-9-27-14-25-18-19(22)23-13-24-20(18)27/h1-2,4-5,13-15H,3,6-12H2,(H2,22,23,24)