tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-(2-pyrimidinylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-(2-pyrimidylamino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=NC=CC=N3

InChI

InChI=1S/C19H26N6O3/c1-19(2,3)28-18(27)25-12-13(23-17-21-7-5-8-22-17)10-15(25)16(26)24-9-4-6-14(24)11-20/h5,7-8,13-15H,4,6,9-10,12H2,1-3H3,(H,21,22,23)