2-[[4-[3-(2-azanyl-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(2-azanyl-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-6-phenyl-4-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[3-(2-amino-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-6-phenyl-4-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]glutaric acid Formula: C25H25N5O6S MolecularWeight: 523.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=S)N=C(N2)N)CCC(=O)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)N=C(N2)N)CCC(=O)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H25N5O6S/c26-25-29-21(14-4-2-1-3-5-14)17(23(37)30-25)10-12-19(31)27-16-8-6-15(7-9-16)22(34)28-18(24(35)36)11-13-20(32)33/h1-9,18H,10-13H2,(H,27,31)(H,28,34)(H,32,33)(H,35,36)(H3,26,29,30,37)