(2S)-2-[[4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[2-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CSC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CSC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H20N4O6S/c21-20-23-17(28)15-12(9-31-18(15)24-20)6-3-10-1-4-11(5-2-10)16(27)22-13(19(29)30)7-8-14(25)26/h1-2,4-5,9,13H,3,6-8H2,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t13-/m0/s1