(4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methyl-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate

Systemtic Name: (4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methyl-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate Openeye Name: (4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methyl-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate CAS Name: 4-[4-[[[(5-cyano-3-methyl-2-pyrazinyl)hydrazo]-oxomethyl]amino]butoxy]benzenesulfinic acid (4-hydroxyphenyl) ester IUPAC Name: (4-hydroxyphenyl) 4-[4-[[(5-cyano-3-methylpyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinate Traditional Name: 4-[4-[[(5-cyano-3-methyl-pyrazin-2-yl)amino]carbamoylamino]butoxy]benzenesulfinic acid (4-hydroxyphenyl) ester Formula: C23H24N6O5S MolecularWeight: 496.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN=C1NNC(=O)NCCCCOC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)O)C#N

Isomeric SMILES

CC1=NC(=CN=C1NNC(=O)NCCCCOC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)O)C#N

InChI

InChI=1S/C23H24N6O5S/c1-16-22(26-15-17(14-24)27-16)28-29-23(31)25-12-2-3-13-33-19-8-10-21(11-9-19)35(32)34-20-6-4-18(30)5-7-20/h4-11,15,30H,2-3,12-13H2,1H3,(H,26,28)(H2,25,29,31)