6-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]hexanoic acid Openeye Name: 6-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]hexanoic acid CAS Name: 6-[2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]hexanoic acid IUPAC Name: 6-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]hexanoic acid Traditional Name: 6-[2-(1H-benzimidazol-2-ylmethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]hexanoic acid Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C(=O)N3CCCCCC(=O)O)SC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C(=O)N3CCCCCC(=O)O)SC=C4

InChI

InChI=1S/C20H20N4O3S2/c25-17(26)8-2-1-5-10-24-19(27)18-15(9-11-28-18)23-20(24)29-12-16-21-13-6-3-4-7-14(13)22-16/h3-4,6-7,9,11H,1-2,5,8,10,12H2,(H,21,22)(H,25,26)