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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-(2-pentylpiperidin-4-yl)purin-6-amine; 1-phenyl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-phenyl-methanamine; 2-chloro-9-cyclopentyl-N-(2-pentyl-4-piperidyl)purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-(2-pentyl-4-piperidinyl)-6-purinamine; 1-phenyl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-phenylmethanamine; 2-chloro-9-cyclopentyl-N-(2-pentylpiperidin-4-yl)purin-6-amine Traditional Name: (2-amyl-4-piperidyl)-(2-chloro-9-cyclopentyl-purin-6-yl)amine; dibenzylamine Formula: C34H46ClN7 MolecularWeight: 588.22894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CCCCCC1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C20H31ClN6.C14H15N/c1-2-3-4-7-14-12-15(10-11-22-14)24-18-17-19(26-20(21)25-18)27(13-23-17)16-8-5-6-9-16;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h13-16,22H,2-12H2,1H3,(H,24,25,26);1-10,15H,11-12H2