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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)Cl.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C19H29ClN6.C14H15N/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;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h13-15H,2-12H2,1H3,(H,22,23,24);1-10,15H,11-12H2