ethyl 4-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]butyric acid ethyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-4-29-21(28)9-8-20(27)26-12-10-25(11-13-26)19-15-17(3)23-22(24-19)18-7-5-6-16(2)14-18/h5-7,14-15H,4,8-13H2,1-3H3