2-[2-butyl-4-chloranyl-6-(phenylmethyl)pyrimidin-5-yl]ethanoate

Systemtic Name: 2-[2-butyl-4-chloranyl-6-(phenylmethyl)pyrimidin-5-yl]ethanoate Openeye Name: 2-(4-benzyl-2-butyl-6-chloro-pyrimidin-5-yl)acetate CAS Name: 2-[2-butyl-4-chloro-6-(phenylmethyl)-5-pyrimidinyl]acetate IUPAC Name: 2-(4-benzyl-2-butyl-6-chloropyrimidin-5-yl)acetate Traditional Name: 2-(4-benzyl-2-butyl-6-chloro-pyrimidin-5-yl)acetate Formula: C17H18ClN2O2- MolecularWeight: 317.79002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=N1)Cl)CC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=C(C(=N1)Cl)CC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C17H19ClN2O2/c1-2-3-9-15-19-14(10-12-7-5-4-6-8-12)13(11-16(21)22)17(18)20-15/h4-8H,2-3,9-11H2,1H3,(H,21,22)/p-1