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

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-1H-pteridin-6-yl)propyl-tosyl-amino]benzoic acid Formula: C23H22N6O5S MolecularWeight: 494.52298

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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)N)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)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H22N6O5S/c1-14-4-10-18(11-5-14)35(33,34)29(17-8-6-15(7-9-17)22(31)32)12-2-3-16-13-25-20-19(26-16)21(30)28-23(24)27-20/h4-11,13H,2-3,12H2,1H3,(H,31,32)(H3,24,25,27,28,30)