(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoyl]amino]glutaric acid Formula: C19H17N5O7S MolecularWeight: 459.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CC3=C(S2)N=C(NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C2=CC3=C(S2)N=C(NC3=O)N

InChI

InChI=1S/C19H17N5O7S/c20-19-23-15(28)10-7-12(32-17(10)24-19)16(29)21-9-3-1-8(2-4-9)14(27)22-11(18(30)31)5-6-13(25)26/h1-4,7,11H,5-6H2,(H,21,29)(H,22,27)(H,25,26)(H,30,31)(H3,20,23,24,28)/t11-/m0/s1