tert-butyl 4-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N6O4S MolecularWeight: 470.54464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC=NC(=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC=NC(=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N6O4S/c1-14(29)25-20-26-19-15(6-5-7-16(19)33-20)31-18-12-17(23-13-24-18)27-8-10-28(11-9-27)21(30)32-22(2,3)4/h5-7,12-13H,8-11H2,1-4H3,(H,25,26,29)