tert-butyl N-[1-[[5-aminocarbonyl-6-[(3-bromophenyl)amino]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[5-aminocarbonyl-6-[(3-bromophenyl)amino]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]hexan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[[6-(3-bromoanilino)-5-carbamoyl-4-oxo-1H-pyrimidin-2-yl]amino]methyl]pentyl]carbamate CAS Name: N-[1-[[6-(3-bromoanilino)-5-carbamoyl-4-oxo-1H-pyrimidin-2-yl]amino]hexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[6-(3-bromoanilino)-5-carbamoyl-4-oxo-1H-pyrimidin-2-yl]amino]hexan-2-yl]carbamate Traditional Name: N-[1-[[[6-(3-bromoanilino)-5-carbamoyl-4-keto-1H-pyrimidin-2-yl]amino]methyl]pentyl]carbamic acid tert-butyl ester Formula: C22H31BrN6O4 MolecularWeight: 523.42334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=O)C(=C(N1)NC2=CC(=CC=C2)Br)C(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(CNC1=NC(=O)C(=C(N1)NC2=CC(=CC=C2)Br)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H31BrN6O4/c1-5-6-9-15(27-21(32)33-22(2,3)4)12-25-20-28-18(16(17(24)30)19(31)29-20)26-14-10-7-8-13(23)11-14/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H2,24,30)(H,27,32)(H3,25,26,28,29,31)