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

Systemtic Name: 9-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-purin-6-amine Openeye Name: 9-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-purin-6-amine CAS Name: 9-[3-[4-(3-methoxyphenyl)-1-piperazinyl]propyl]-2-methyl-6-purinamine IUPAC Name: 9-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylpurin-6-amine Traditional Name: [9-[3-[4-(3-methoxyphenyl)piperazino]propyl]-2-methyl-purin-6-yl]amine Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2CCCN3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2CCCN3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H27N7O/c1-15-23-19(21)18-20(24-15)27(14-22-18)8-4-7-25-9-11-26(12-10-25)16-5-3-6-17(13-16)28-2/h3,5-6,13-14H,4,7-12H2,1-2H3,(H2,21,23,24)