tert-butyl 4-(5-chloranyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-chloro-2-pyrrolidin-1-yl-pyrimidine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[5-chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-chloro-2-pyrrolidino-pyrimidine-4-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26ClN5O3 MolecularWeight: 395.88374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)N3CCCC3

InChI

InChI=1S/C18H26ClN5O3/c1-18(2,3)27-17(26)24-10-8-22(9-11-24)15(25)14-13(19)12-20-16(21-14)23-6-4-5-7-23/h12H,4-11H2,1-3H3