tert-butyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-(2-ethoxy-2-oxo-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-ethoxy-2-oxoethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CN(CCN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1CN(CCN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N6O4/c1-5-29-17(27)12-15-13-24(19(28)30-20(2,3)4)10-11-26(15)16-6-7-22-18(23-16)25-9-8-21-14-25/h6-9,14-15H,5,10-13H2,1-4H3