N-[4-chloranyl-6-(diethoxymethyl)-5-(4-phenylbutyl)pyrimidin-2-yl]ethanamide

Systemtic Name: N-[4-chloranyl-6-(diethoxymethyl)-5-(4-phenylbutyl)pyrimidin-2-yl]ethanamide Openeye Name: N-[4-chloro-6-(diethoxymethyl)-5-(4-phenylbutyl)pyrimidin-2-yl]acetamide CAS Name: N-[4-chloro-6-(diethoxymethyl)-5-(4-phenylbutyl)-2-pyrimidinyl]acetamide IUPAC Name: N-[4-chloro-6-(diethoxymethyl)-5-(4-phenylbutyl)pyrimidin-2-yl]acetamide Traditional Name: N-[4-chloro-6-(diethoxymethyl)-5-(4-phenylbutyl)pyrimidin-2-yl]acetamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C(=NC(=N1)NC(=O)C)Cl)CCCCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(C1=C(C(=NC(=N1)NC(=O)C)Cl)CCCCC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H28ClN3O3/c1-4-27-20(28-5-2)18-17(19(22)25-21(24-18)23-15(3)26)14-10-9-13-16-11-7-6-8-12-16/h6-8,11-12,20H,4-5,9-10,13-14H2,1-3H3,(H,23,24,25,26)