tert-butyl 2-[[2-(2,3-dihydroindol-1-yl)-4-(pyridin-2-ylmethylamino)pyrimidin-5-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[2-(2,3-dihydroindol-1-yl)-4-(pyridin-2-ylmethylamino)pyrimidin-5-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[2-indolin-1-yl-4-(2-pyridylmethylamino)pyrimidine-5-carbonyl]amino]acetate CAS Name: 2-[[[2-(2,3-dihydroindol-1-yl)-4-(2-pyridinylmethylamino)-5-pyrimidinyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(2,3-dihydroindol-1-yl)-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]acetate Traditional Name: 2-[[2-indolin-1-yl-4-(2-pyridylmethylamino)pyrimidine-5-carbonyl]amino]acetic acid tert-butyl ester Formula: C25H28N6O3 MolecularWeight: 460.52822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=CN=C(N=C1NCC2=CC=CC=N2)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=CN=C(N=C1NCC2=CC=CC=N2)N3CCC4=CC=CC=C43

InChI

InChI=1S/C25H28N6O3/c1-25(2,3)34-21(32)16-28-23(33)19-15-29-24(31-13-11-17-8-4-5-10-20(17)31)30-22(19)27-14-18-9-6-7-12-26-18/h4-10,12,15H,11,13-14,16H2,1-3H3,(H,28,33)(H,27,29,30)