2-chloranyl-9-cyclopent-2-en-1-yl-N-[4-(phenylmethyl)piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopent-2-en-1-yl-N-[4-(phenylmethyl)piperidin-1-yl]purin-6-amine Openeye Name: N-(4-benzyl-1-piperidyl)-2-chloro-9-cyclopent-2-en-1-yl-purin-6-amine CAS Name: 2-chloro-9-(1-cyclopent-2-enyl)-N-[4-(phenylmethyl)-1-piperidinyl]-6-purinamine IUPAC Name: N-(4-benzylpiperidin-1-yl)-2-chloro-9-cyclopent-2-en-1-ylpurin-6-amine Traditional Name: (4-benzylpiperidino)-(2-chloro-9-cyclopent-2-en-1-yl-purin-6-yl)amine Formula: C22H25ClN6 MolecularWeight: 408.9271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C22H25ClN6/c23-22-25-20(19-21(26-22)29(15-24-19)18-8-4-5-9-18)27-28-12-10-17(11-13-28)14-16-6-2-1-3-7-16/h1-4,6-8,15,17-18H,5,9-14H2,(H,25,26,27)