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

Systemtic Name: tert-butyl N-[2-[[5-aminocarbonyl-6-[(3-bromophenyl)amino]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[2-[[6-(3-bromoanilino)-5-carbamoyl-4-oxo-1H-pyrimidin-2-yl]amino]cyclohexyl]carbamate CAS Name: N-[2-[[6-(3-bromoanilino)-5-carbamoyl-4-oxo-1H-pyrimidin-2-yl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[6-(3-bromoanilino)-5-carbamoyl-4-oxo-1H-pyrimidin-2-yl]amino]cyclohexyl]carbamate Traditional Name: N-[2-[[6-(3-bromoanilino)-5-carbamoyl-4-keto-1H-pyrimidin-2-yl]amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C22H29BrN6O4 MolecularWeight: 521.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCC1NC2=NC(=O)C(=C(N2)NC3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCC1NC2=NC(=O)C(=C(N2)NC3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C22H29BrN6O4/c1-22(2,3)33-21(32)27-15-10-5-4-9-14(15)26-20-28-18(16(17(24)30)19(31)29-20)25-13-8-6-7-12(23)11-13/h6-8,11,14-15H,4-5,9-10H2,1-3H3,(H2,24,30)(H,27,32)(H3,25,26,28,29,31)