ethyl 4-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-4-keto-butyric acid ethyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H30N4O3/c1-4-30-22(29)11-10-21(28)26-12-14-27(15-13-26)23-20(17(2)24-18(3)25-23)16-19-8-6-5-7-9-19/h5-9H,4,10-16H2,1-3H3