2-chloranyl-9-cyclopentyl-N-[4-(thiophen-2-ylmethyl)piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-(thiophen-2-ylmethyl)piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-(2-thienylmethyl)-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-(thiophen-2-ylmethyl)-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-(thiophen-2-ylmethyl)piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[4-(2-thenyl)piperidino]amine Formula: C20H25ClN6S MolecularWeight: 416.9707

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CS5)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CS5)Cl

InChI

InChI=1S/C20H25ClN6S/c21-20-23-18(17-19(24-20)27(13-22-17)15-4-1-2-5-15)25-26-9-7-14(8-10-26)12-16-6-3-11-28-16/h3,6,11,13-15H,1-2,4-5,7-10,12H2,(H,23,24,25)