ethyl 4-[[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C

InChI

InChI=1S/C23H31N5O3/c1-6-31-22(29)18-7-9-19(10-8-18)26-23(30)28-13-11-27(12-14-28)21-20(15(2)3)16(4)24-17(5)25-21/h7-10,15H,6,11-14H2,1-5H3,(H,26,30)