tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-[methyl(3-pyridinylsulfonyl)amino]-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propionic acid tert-butyl ester Formula: C26H32N6O6S MolecularWeight: 556.63388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC=NC=C2N(C)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC=NC=C2N(C)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H32N6O6S/c1-26(2,3)38-24(33)21(14-18-9-11-19(12-10-18)37-25(34)31(4)5)30-23-22(16-28-17-29-23)32(6)39(35,36)20-8-7-13-27-15-20/h7-13,15-17,21H,14H2,1-6H3,(H,28,29,30)