2-[[5-[5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-[5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]pentyl]-2-thiophenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[5-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]pentyl]thiophene-2-carbonyl]amino]glutaric acid Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCCC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCCC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H27N3O6S2/c29-21-15-19(16-7-3-1-4-8-16)27-25(28-21)35-14-6-2-5-9-17-10-12-20(36-17)23(32)26-18(24(33)34)11-13-22(30)31/h1,3-4,7-8,10,12,15,18H,2,5-6,9,11,13-14H2,(H,26,32)(H,30,31)(H,33,34)(H,27,28,29)