(5Z)-4-[but-3-ynyl-(phenylmethyl)amino]-2-(2,2-dimethylpropanoylamino)-6-methoxy-N-oxidanyl-pyrimidine-5-carboximidoyl chloride

Systemtic Name: (5Z)-4-[but-3-ynyl-(phenylmethyl)amino]-2-(2,2-dimethylpropanoylamino)-6-methoxy-N-oxidanyl-pyrimidine-5-carboximidoyl chloride Openeye Name: (5Z)-4-[benzyl(but-3-ynyl)amino]-2-(2,2-dimethylpropanoylamino)-N-hydroxy-6-methoxy-pyrimidine-5-carboximidoyl chloride CAS Name: (5Z)-4-[but-3-ynyl-(phenylmethyl)amino]-2-[(2,2-dimethyl-1-oxopropyl)amino]-N-hydroxy-6-methoxy-5-pyrimidinecarboximidoyl chloride IUPAC Name: (5Z)-4-[benzyl(but-3-ynyl)amino]-2-(2,2-dimethylpropanoylamino)-N-hydroxy-6-methoxypyrimidine-5-carboximidoyl chloride Traditional Name: (5Z)-4-[benzyl(but-3-ynyl)amino]-N-hydroxy-6-methoxy-2-(pivaloylamino)pyrimidine-5-carboximidoyl chloride Formula: C22H26ClN5O3 MolecularWeight: 443.92654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=C(C(=N1)OC)C(=NO)Cl)N(CCC#C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=C(C(=N1)OC)/C(=N/O)/Cl)N(CCC#C)CC2=CC=CC=C2

InChI

InChI=1S/C22H26ClN5O3/c1-6-7-13-28(14-15-11-9-8-10-12-15)18-16(17(23)27-30)19(31-5)25-21(24-18)26-20(29)22(2,3)4/h1,8-12,30H,7,13-14H2,2-5H3,(H,24,25,26,29)/b27-17-