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

Systemtic Name: 9-[3-[4-(phenoxymethyl)piperidin-1-yl]propyl]purin-6-amine Openeye Name: 9-[3-[4-(phenoxymethyl)-1-piperidyl]propyl]purin-6-amine CAS Name: 9-[3-[4-(phenoxymethyl)-1-piperidinyl]propyl]-6-purinamine IUPAC Name: 9-[3-[4-(phenoxymethyl)piperidin-1-yl]propyl]purin-6-amine Traditional Name: [9-[3-[4-(phenoxymethyl)piperidino]propyl]purin-6-yl]amine Formula: C20H26N6O MolecularWeight: 366.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=CC=C2)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CN(CCC1COC2=CC=CC=C2)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H26N6O/c21-19-18-20(23-14-22-19)26(15-24-18)10-4-9-25-11-7-16(8-12-25)13-27-17-5-2-1-3-6-17/h1-3,5-6,14-16H,4,7-13H2,(H2,21,22,23)