(2-aminophenyl) 3-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]sulfonylphenyl]propanoate

Systemtic Name: (2-aminophenyl) 3-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]sulfonylphenyl]propanoate Openeye Name: (2-aminophenyl) 3-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]sulfonylphenyl]propanoate CAS Name: 3-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]sulfonylphenyl]propanoic acid (2-aminophenyl) ester IUPAC Name: (2-aminophenyl) 3-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]sulfonylphenyl]propanoate Traditional Name: 3-[2-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]sulfonylphenyl]propionic acid (2-aminophenyl) ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3CCC(=O)OC4=CC=CC=C4N

Isomeric SMILES

C1CNC(=NC1)NC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3CCC(=O)OC4=CC=CC=C4N

InChI

InChI=1S/C25H26N4O4S/c26-19-9-2-4-11-21(19)33-24(30)15-14-18-8-1-5-12-22(18)34(31,32)23-13-6-3-10-20(23)29-25-27-16-7-17-28-25/h1-6,8-13H,7,14-17,26H2,(H2,27,28,29)