tert-butyl (2S)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N5O3/c1-15(2)19-23-16(3)14-18(24-19)25-10-12-26(13-11-25)20(28)17-8-7-9-27(17)21(29)30-22(4,5)6/h14-15,17H,7-13H2,1-6H3/t17-/m0/s1