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

Systemtic Name: 2-[[4-[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]glutaric acid Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H22N4O7S/c1-10-13(18(29)24-20(32)21-10)6-8-15(25)22-12-4-2-11(3-5-12)17(28)23-14(19(30)31)7-9-16(26)27/h2-5,14H,6-9H2,1H3,(H,22,25)(H,23,28)(H,26,27)(H,30,31)(H2,21,24,29,32)