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

Systemtic Name: tert-butyl N-[4-[aminocarbonyl(methyl)amino]-5-cyano-6-phenylmethoxy-pyrimidin-2-yl]-N-(4-iodophenyl)carbamate Openeye Name: tert-butyl N-[4-benzyloxy-6-[carbamoyl(methyl)amino]-5-cyano-pyrimidin-2-yl]-N-(4-iodophenyl)carbamate CAS Name: N-[4-[carbamoyl(methyl)amino]-5-cyano-6-phenylmethoxy-2-pyrimidinyl]-N-(4-iodophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[carbamoyl(methyl)amino]-5-cyano-6-phenylmethoxypyrimidin-2-yl]-N-(4-iodophenyl)carbamate Traditional Name: N-[4-benzoxy-6-[carbamoyl(methyl)amino]-5-cyano-pyrimidin-2-yl]-N-(4-iodophenyl)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(C1=CC=C(C=C1)I)C2=NC(=C(C(=N2)OCC3=CC=CC=C3)C#N)N(C)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)I)C2=NC(=C(C(=N2)OCC3=CC=CC=C3)C#N)N(C)C(=O)N

InChI

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