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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C17H25ClN6.C14H15N/c1-2-12-7-9-23(10-8-12)22-15-14-16(21-17(18)20-15)24(11-19-14)13-5-3-4-6-13;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h11-13H,2-10H2,1H3,(H,20,21,22);1-10,15H,11-12H2