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

Systemtic Name: N-(2-butylpiperidin-4-yl)-2-chloranyl-9-cyclopentyl-purin-6-amine; 1-phenyl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-phenyl-methanamine; N-(2-butyl-4-piperidyl)-2-chloro-9-cyclopentyl-purin-6-amine CAS Name: N-(2-butyl-4-piperidinyl)-2-chloro-9-cyclopentyl-6-purinamine; 1-phenyl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-phenylmethanamine; N-(2-butylpiperidin-4-yl)-2-chloro-9-cyclopentylpurin-6-amine Traditional Name: (2-butyl-4-piperidyl)-(2-chloro-9-cyclopentyl-purin-6-yl)amine; dibenzylamine Formula: C33H44ClN7 MolecularWeight: 574.20236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CCCCC1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C19H29ClN6.C14H15N/c1-2-3-6-13-11-14(9-10-21-13)23-17-16-18(25-19(20)24-17)26(12-22-16)15-7-4-5-8-15;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h12-15,21H,2-11H2,1H3,(H,23,24,25);1-10,15H,11-12H2