tert-butyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate CAS Name: 2-[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate Traditional Name: 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetic acid tert-butyl ester Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N6O2/c1-17(18-8-6-5-7-9-18)29-24-26-13-12-22(30-24)31-16-28-20-14-19(10-11-21(20)31)27-15-23(32)33-25(2,3)4/h5-14,16-17,27H,15H2,1-4H3,(H,26,29,30)