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

Systemtic Name: 2-methyl-9-[3-[4-(phenoxymethyl)piperidin-1-yl]propyl]purin-6-amine Openeye Name: 2-methyl-9-[3-[4-(phenoxymethyl)-1-piperidyl]propyl]purin-6-amine CAS Name: 2-methyl-9-[3-[4-(phenoxymethyl)-1-piperidinyl]propyl]-6-purinamine IUPAC Name: 2-methyl-9-[3-[4-(phenoxymethyl)piperidin-1-yl]propyl]purin-6-amine Traditional Name: [2-methyl-9-[3-[4-(phenoxymethyl)piperidino]propyl]purin-6-yl]amine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2CCCN3CCC(CC3)COC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2CCCN3CCC(CC3)COC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O/c1-16-24-20(22)19-21(25-16)27(15-23-19)11-5-10-26-12-8-17(9-13-26)14-28-18-6-3-2-4-7-18/h2-4,6-7,15,17H,5,8-14H2,1H3,(H2,22,24,25)