tert-butyl 1-[6-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-4-yl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[6-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-4-yl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[2-(2-tert-butoxycarbonylpiperazin-1-yl)-6-chloro-pyrimidin-4-yl]piperazine-2-carboxylate CAS Name: 1-[6-chloro-2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-pyrimidinyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[6-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-4-yl]piperazine-2-carboxylate Traditional Name: 1-[2-(2-tert-butoxycarbonylpiperazino)-6-chloro-pyrimidin-4-yl]piperazine-2-carboxylic acid tert-butyl ester Formula: C22H35ClN6O4 MolecularWeight: 483.0041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=NC(=N2)N3CCNCC3C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=NC(=N2)N3CCNCC3C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C22H35ClN6O4/c1-21(2,3)32-18(30)14-12-24-7-9-28(14)17-11-16(23)26-20(27-17)29-10-8-25-13-15(29)19(31)33-22(4,5)6/h11,14-15,24-25H,7-10,12-13H2,1-6H3