2-[[5-[(1-butylpyrazol-4-yl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[5-[(1-butylpyrazol-4-yl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[5-[(1-butylpyrazol-4-yl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[5-[(1-butyl-4-pyrazolyl)sulfonyl-methylamino]-4-pyrimidinyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[5-[(1-butylpyrazol-4-yl)sulfonyl-methylamino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[5-[(1-butylpyrazol-4-yl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C24H31N7O6S MolecularWeight: 545.61124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=N1)S(=O)(=O)N(C)C2=CN=CN=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCCN1C=C(C=N1)S(=O)(=O)N(C)C2=CN=CN=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C24H31N7O6S/c1-5-6-11-31-15-19(13-27-31)38(35,36)30(4)21-14-25-16-26-22(21)28-20(23(32)33)12-17-7-9-18(10-8-17)37-24(34)29(2)3/h7-10,13-16,20H,5-6,11-12H2,1-4H3,(H,32,33)(H,25,26,28)