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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H]2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C20H23ClN6O4/c1-29-13-7-12(8-14(30-2)16(13)31-3)24-19(28)11-5-4-6-27(9-11)18-15-17(23-10-22-15)25-20(21)26-18/h7-8,10-11H,4-6,9H2,1-3H3,(H,24,28)(H,22,23,25,26)/t11-/m0/s1