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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-(2-ethylpiperidin-4-yl)purin-6-amine; 1-phenyl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-phenyl-methanamine; 2-chloro-9-cyclopentyl-N-(2-ethyl-4-piperidyl)purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-(2-ethyl-4-piperidinyl)-6-purinamine; 1-phenyl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-phenylmethanamine; 2-chloro-9-cyclopentyl-N-(2-ethylpiperidin-4-yl)purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-(2-ethyl-4-piperidyl)amine; dibenzylamine Formula: C31H40ClN7 MolecularWeight: 546.1492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CCC1CC(CCN1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C17H25ClN6.C14H15N/c1-2-11-9-12(7-8-19-11)21-15-14-16(23-17(18)22-15)24(10-20-14)13-5-3-4-6-13;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h10-13,19H,2-9H2,1H3,(H,21,22,23);1-10,15H,11-12H2