N-butylbutan-1-amine; 2-chloranyl-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine

Systemtic Name: N-butylbutan-1-amine; 2-chloranyl-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine Openeye Name: N-butylbutan-1-amine; 2-chloro-9-cyclopentyl-N-(4-pentyl-1-piperidyl)purin-6-amine CAS Name: N-butyl-1-butanamine; 2-chloro-9-cyclopentyl-N-(4-pentyl-1-piperidinyl)-6-purinamine IUPAC Name: N-butylbutan-1-amine; 2-chloro-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine Traditional Name: (4-amylpiperidino)-(2-chloro-9-cyclopentyl-purin-6-yl)amine; dibutylamine Formula: C28H50ClN7 MolecularWeight: 520.1965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.CCCCNCCCC

Isomeric SMILES

CCCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.CCCCNCCCC

InChI

InChI=1S/C20H31ClN6.C8H19N/c1-2-3-4-7-15-10-12-26(13-11-15)25-18-17-19(24-20(21)23-18)27(14-22-17)16-8-5-6-9-16;1-3-5-7-9-8-6-4-2/h14-16H,2-13H2,1H3,(H,23,24,25);9H,3-8H2,1-2H3