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

Systemtic Name: 2-[[5-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butyl]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butyl]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[5-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]butyl]-2-thiophenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butyl]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[4-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]butyl]thiophene-2-carbonyl]amino]glutaric acid Formula: C24H25N3O6S2 MolecularWeight: 515.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCC3=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)SCCCCC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H25N3O6S2/c28-20-14-18(15-6-2-1-3-7-15)26-24(27-20)34-13-5-4-8-16-9-11-19(35-16)22(31)25-17(23(32)33)10-12-21(29)30/h1-3,6-7,9,11,14,17H,4-5,8,10,12-13H2,(H,25,31)(H,29,30)(H,32,33)(H,26,27,28)