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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(7H-purin-6-yl)isonipecotamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-29-16-4-3-14(11-17(16)30-2)5-8-22-21(28)15-6-9-27(10-7-15)20-18-19(24-12-23-18)25-13-26-20/h3-4,11-13,15H,5-10H2,1-2H3,(H,22,28)(H,23,24,25,26)