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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-(6-phenyloxepan-2-yl)piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-(6-phenyloxepan-2-yl)-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-(6-phenyl-2-oxepanyl)-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-(6-phenyloxepan-2-yl)piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[4-(6-phenyloxepan-2-yl)piperidino]amine Formula: C27H35ClN6O MolecularWeight: 495.0594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)C5CCCC(CO5)C6=CC=CC=C6)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)C5CCCC(CO5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C27H35ClN6O/c28-27-30-25(24-26(31-27)34(18-29-24)22-10-4-5-11-22)32-33-15-13-20(14-16-33)23-12-6-9-21(17-35-23)19-7-2-1-3-8-19/h1-3,7-8,18,20-23H,4-6,9-17H2,(H,30,31,32)