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

Systemtic Name: 2-[[1-[(3-cyano-1-pentan-3-yl-pyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]pyrimidine-4-carboxylic acid Openeye Name: 2-[[2-[[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]pyrimidine-4-carboxylic acid CAS Name: 2-[[1-[(3-cyano-1-pentan-3-yl-3-pyrrolidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-pyrimidinecarboxylic acid IUPAC Name: 2-[[1-[(3-cyano-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxylic acid Traditional Name: 2-[[2-[[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]pyrimidine-4-carboxylic acid Formula: C24H36N6O3 MolecularWeight: 456.58104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC2CCCCC2)NC3=NC=CC(=N3)C(=O)O

Isomeric SMILES

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC2CCCCC2)NC3=NC=CC(=N3)C(=O)O

InChI

InChI=1S/C24H36N6O3/c1-3-18(4-2)30-13-11-24(15-25,16-30)29-21(31)20(14-17-8-6-5-7-9-17)28-23-26-12-10-19(27-23)22(32)33/h10,12,17-18,20H,3-9,11,13-14,16H2,1-2H3,(H,29,31)(H,32,33)(H,26,27,28)