tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(p-tolylsulfonylamino)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-[(4-methylphenyl)sulfonylamino]-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(tosylamino)pyrimidin-4-yl]amino]propionic acid tert-butyl ester Formula: C27H33N5O6S MolecularWeight: 555.64582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CN=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CN=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N5O6S/c1-18-7-13-21(14-8-18)39(35,36)31-23-16-28-17-29-24(23)30-22(25(33)38-27(2,3)4)15-19-9-11-20(12-10-19)37-26(34)32(5)6/h7-14,16-17,22,31H,15H2,1-6H3,(H,28,29,30)