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

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanoate CAS Name: 3-[2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoate IUPAC Name: 3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[2-(1H-benzimidazol-2-ylmethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]propionate Formula: C17H13N4O3S2- MolecularWeight: 385.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C(=O)N3CCC(=O)[O-])SC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C(=O)N3CCC(=O)[O-])SC=C4

InChI

InChI=1S/C17H14N4O3S2/c22-14(23)5-7-21-16(24)15-12(6-8-25-15)20-17(21)26-9-13-18-10-3-1-2-4-11(10)19-13/h1-4,6,8H,5,7,9H2,(H,18,19)(H,22,23)/p-1