tert-butyl 4-[2-[(3-chlorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3-chlorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3-chlorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-chlorophenyl)methoxy]-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3-chlorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-chlorobenzyl)oxypyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC=C2)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC=C2)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O3/c1-20(2,3)28-19(26)25-11-9-24(10-12-25)17-7-8-22-18(23-17)27-14-15-5-4-6-16(21)13-15/h4-8,13H,9-12,14H2,1-3H3