1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethanoyl)carbamimidoyl]piperidine-4-carboxamide

Systemtic Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethanoyl)carbamimidoyl]piperidine-4-carboxamide Openeye Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylacetyl)carbamimidoyl]piperidine-4-carboxamide CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(1-oxo-2-phenylethyl)iminomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylacetyl)carbamimidoyl]piperidine-4-carboxamide Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylacetyl)amidino]isonipecotamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC(=O)CC2=CC=CC=C2)N3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC(=O)CC2=CC=CC=C2)N3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C21H26N6O2/c1-14-12-15(2)24-20(23-14)26-21(27-10-8-17(9-11-27)19(22)29)25-18(28)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,22,29)(H,23,24,25,26,28)