1-(2-chloranyl-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-homoveratryl-isonipecotamide Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl)OC

InChI

InChI=1S/C21H25ClN6O3/c1-30-15-4-3-13(11-16(15)31-2)5-8-23-20(29)14-6-9-28(10-7-14)19-17-18(25-12-24-17)26-21(22)27-19/h3-4,11-12,14H,5-10H2,1-2H3,(H,23,29)(H,24,25,26,27)