ethyl 4-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[5,6-dimethyl-2-(m-tolyl)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(=C2C)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H30N4O3/c1-5-30-21(29)10-9-20(28)26-11-13-27(14-12-26)23-17(3)18(4)24-22(25-23)19-8-6-7-16(2)15-19/h6-8,15H,5,9-14H2,1-4H3