tert-butyl 4-(5-cyano-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-cyano-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-cyano-2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyano-2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-cyano-2,6-dipyrrolidino-pyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N7O2 MolecularWeight: 427.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=C2C#N)N3CCCC3)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=C2C#N)N3CCCC3)N4CCCC4

InChI

InChI=1S/C22H33N7O2/c1-22(2,3)31-21(30)29-14-12-27(13-15-29)19-17(16-23)18(26-8-4-5-9-26)24-20(25-19)28-10-6-7-11-28/h4-15H2,1-3H3