2-[[1-[(3-cyano-1-pentan-3-yl-pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]amino]pyrimidine-4-carboxylic acid

Systemtic Name: 2-[[1-[(3-cyano-1-pentan-3-yl-pyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]amino]pyrimidine-4-carboxylic acid Openeye Name: 2-[[1-[[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]carbamoyl]-3,3-dimethyl-butyl]amino]pyrimidine-4-carboxylic acid CAS Name: 2-[[1-[(3-cyano-1-pentan-3-yl-3-pyrrolidinyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-4-pyrimidinecarboxylic acid IUPAC Name: 2-[[1-[(3-cyano-1-pentan-3-ylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]pyrimidine-4-carboxylic acid Traditional Name: 2-[[1-[[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]carbamoyl]-3,3-dimethyl-butyl]amino]pyrimidine-4-carboxylic acid Formula: C22H34N6O3 MolecularWeight: 430.54376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC(C)(C)C)NC2=NC=CC(=N2)C(=O)O

Isomeric SMILES

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC(C)(C)C)NC2=NC=CC(=N2)C(=O)O

InChI

InChI=1S/C22H34N6O3/c1-6-15(7-2)28-11-9-22(13-23,14-28)27-18(29)17(12-21(3,4)5)26-20-24-10-8-16(25-20)19(30)31/h8,10,15,17H,6-7,9,11-12,14H2,1-5H3,(H,27,29)(H,30,31)(H,24,25,26)