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

Systemtic Name: ethyl 4-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C29H34N4O3/c1-4-36-27(35)14-13-26(34)32-15-17-33(18-16-32)29-25(20-23-10-6-5-7-11-23)22(3)30-28(31-29)24-12-8-9-21(2)19-24/h5-12,19H,4,13-18,20H2,1-3H3