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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(6-piperidin-1-ylpurin-9-yl)ethyl]benzamide Openeye Name: N-[2,2,2-trichloro-1-[6-(1-piperidyl)purin-9-yl]ethyl]benzamide CAS Name: N-[2,2,2-trichloro-1-[6-(1-piperidinyl)-9-purinyl]ethyl]benzamide IUPAC Name: N-[2,2,2-trichloro-1-(6-piperidin-1-ylpurin-9-yl)ethyl]benzamide Traditional Name: N-[2,2,2-trichloro-1-(6-piperidinopurin-9-yl)ethyl]benzamide Formula: C19H19Cl3N6O MolecularWeight: 453.75276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2N=CN3C(C(Cl)(Cl)Cl)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2N=CN3C(C(Cl)(Cl)Cl)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19Cl3N6O/c20-19(21,22)18(26-17(29)13-7-3-1-4-8-13)28-12-25-14-15(23-11-24-16(14)28)27-9-5-2-6-10-27/h1,3-4,7-8,11-12,18H,2,5-6,9-10H2,(H,26,29)