ethyl 4-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N5O3/c1-4-25-24(19-21-9-7-6-8-10-21)26(30-20(3)29-25)32-15-17-33(18-16-32)28(35)31-23-13-11-22(12-14-23)27(34)36-5-2/h6-14H,4-5,15-19H2,1-3H3,(H,31,35)