2-[[5-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]-2-thiophenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]thiophene-2-carbonyl]amino]glutaric acid Formula: C23H23N3O6S2 MolecularWeight: 501.57522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCC3=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)SCCCC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H23N3O6S2/c27-19-13-17(14-5-2-1-3-6-14)25-23(26-19)33-12-4-7-15-8-10-18(34-15)21(30)24-16(22(31)32)9-11-20(28)29/h1-3,5-6,8,10,13,16H,4,7,9,11-12H2,(H,24,30)(H,28,29)(H,31,32)(H,25,26,27)