N-[2,2,2-tris(chloranyl)-1-(6-piperidin-1-ylpurin-9-yl)ethyl]methanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(6-piperidin-1-ylpurin-9-yl)ethyl]methanamide Openeye Name: N-[2,2,2-trichloro-1-[6-(1-piperidyl)purin-9-yl]ethyl]formamide CAS Name: N-[2,2,2-trichloro-1-[6-(1-piperidinyl)-9-purinyl]ethyl]formamide IUPAC Name: N-[2,2,2-trichloro-1-(6-piperidin-1-ylpurin-9-yl)ethyl]formamide Traditional Name: N-[2,2,2-trichloro-1-(6-piperidinopurin-9-yl)ethyl]formamide Formula: C13H15Cl3N6O MolecularWeight: 377.6568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2N=CN3C(C(Cl)(Cl)Cl)NC=O

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2N=CN3C(C(Cl)(Cl)Cl)NC=O

InChI

InChI=1S/C13H15Cl3N6O/c14-13(15,16)12(20-8-23)22-7-19-9-10(17-6-18-11(9)22)21-4-2-1-3-5-21/h6-8,12H,1-5H2,(H,20,23)