tert-butyl N-[4-[aminocarbonyl-(4-iodophenyl)amino]-5-cyano-6-phenylmethoxy-pyrimidin-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[4-[aminocarbonyl-(4-iodophenyl)amino]-5-cyano-6-phenylmethoxy-pyrimidin-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-benzyloxy-6-(N-carbamoyl-4-iodo-anilino)-5-cyano-pyrimidin-2-yl]-N-methyl-carbamate CAS Name: N-[4-(N-carbamoyl-4-iodoanilino)-5-cyano-6-phenylmethoxy-2-pyrimidinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(N-carbamoyl-4-iodoanilino)-5-cyano-6-phenylmethoxypyrimidin-2-yl]-N-methylcarbamate Traditional Name: N-[4-benzoxy-6-(N-carbamoyl-4-iodo-anilino)-5-cyano-pyrimidin-2-yl]-N-methyl-carbamic acid tert-butyl ester Formula: C25H25IN6O4 MolecularWeight: 600.40827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=NC(=C(C(=N1)OCC2=CC=CC=C2)C#N)N(C3=CC=C(C=C3)I)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=NC(=C(C(=N1)OCC2=CC=CC=C2)C#N)N(C3=CC=C(C=C3)I)C(=O)N

InChI

InChI=1S/C25H25IN6O4/c1-25(2,3)36-24(34)31(4)23-29-20(32(22(28)33)18-12-10-17(26)11-13-18)19(14-27)21(30-23)35-15-16-8-6-5-7-9-16/h5-13H,15H2,1-4H3,(H2,28,33)