4-[3-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 4-[3-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[3-(2-acetamido-4-keto-1H-pteridin-6-yl)propyl-tosyl-amino]benzoic acid Formula: C25H24N6O6S MolecularWeight: 536.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H24N6O6S/c1-15-5-11-20(12-6-15)38(36,37)31(19-9-7-17(8-10-19)24(34)35)13-3-4-18-14-26-22-21(28-18)23(33)30-25(29-22)27-16(2)32/h5-12,14H,3-4,13H2,1-2H3,(H,34,35)(H2,26,27,29,30,32,33)