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

Systemtic Name: ethyl 2-[[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-4-30-20(28)15-23-22(29)27-12-10-26(11-13-27)21-19(16(2)24-17(3)25-21)14-18-8-6-5-7-9-18/h5-9H,4,10-15H2,1-3H3,(H,23,29)