2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-propyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-propyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-propyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-propylamino]-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-propylamino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-propyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C29H37FN6O6S MolecularWeight: 616.704083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CN=C(N=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)N(CC)CC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN(C1=CN=C(N=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)N(CC)CC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C29H37FN6O6S/c1-6-17-36(43(40,41)23-15-11-21(30)12-16-23)25-19-31-28(35(7-2)8-3)33-26(25)32-24(27(37)38)18-20-9-13-22(14-10-20)42-29(39)34(4)5/h9-16,19,24H,6-8,17-18H2,1-5H3,(H,37,38)(H,31,32,33)