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

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C19H22N6O3 MolecularWeight: 382.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3/c1-27-14-4-3-13(9-15(14)28-2)24-19(26)12-5-7-25(8-6-12)18-16-17(21-10-20-16)22-11-23-18/h3-4,9-12H,5-8H2,1-2H3,(H,24,26)(H,20,21,22,23)