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

Systemtic Name: N-butylbutan-1-amine; N-(4-butylpiperidin-1-yl)-2-chloranyl-9-cyclopentyl-purin-6-amine Openeye Name: N-butylbutan-1-amine; N-(4-butyl-1-piperidyl)-2-chloro-9-cyclopentyl-purin-6-amine CAS Name: N-butyl-1-butanamine; N-(4-butyl-1-piperidinyl)-2-chloro-9-cyclopentyl-6-purinamine IUPAC Name: N-butylbutan-1-amine; N-(4-butylpiperidin-1-yl)-2-chloro-9-cyclopentylpurin-6-amine Traditional Name: (4-butylpiperidino)-(2-chloro-9-cyclopentyl-purin-6-yl)amine; dibutylamine Formula: C27H48ClN7 MolecularWeight: 506.16992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.CCCCNCCCC

Isomeric SMILES

CCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.CCCCNCCCC

InChI

InChI=1S/C19H29ClN6.C8H19N/c1-2-3-6-14-9-11-25(12-10-14)24-17-16-18(23-19(20)22-17)26(13-21-16)15-7-4-5-8-15;1-3-5-7-9-8-6-4-2/h13-15H,2-12H2,1H3,(H,22,23,24);9H,3-8H2,1-2H3