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

Systemtic Name: 2-[2-butyl-4,6-bis(phenylmethyl)pyrimidin-5-yl]ethanoate Openeye Name: 2-(4,6-dibenzyl-2-butyl-pyrimidin-5-yl)acetate CAS Name: 2-[2-butyl-4,6-bis(phenylmethyl)-5-pyrimidinyl]acetate IUPAC Name: 2-(4,6-dibenzyl-2-butylpyrimidin-5-yl)acetate Traditional Name: 2-(4,6-dibenzyl-2-butyl-pyrimidin-5-yl)acetate Formula: C24H25N2O2- MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=N1)CC2=CC=CC=C2)CC(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=C(C(=N1)CC2=CC=CC=C2)CC(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O2/c1-2-3-14-23-25-21(15-18-10-6-4-7-11-18)20(17-24(27)28)22(26-23)16-19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)/p-1