1-(2-chloranyl-7H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)isonipecotamide Formula: C20H23ClN6O4 MolecularWeight: 446.88742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C20H23ClN6O4/c1-29-13-8-12(9-14(30-2)16(13)31-3)24-19(28)11-4-6-27(7-5-11)18-15-17(23-10-22-15)25-20(21)26-18/h8-11H,4-7H2,1-3H3,(H,24,28)(H,22,23,25,26)