1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl]isonipecotamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N5O4/c1-29-18-12-19(30-2)25-21(24-18)23-17(27)14-26-10-8-16(9-11-26)20(28)22-13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,22,28)(H,23,24,25,27)