1,3-benzothiazol-2-ylmethyl-[[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium Formula: C20H17N4O2S2+ MolecularWeight: 409.50458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H16N4O2S2/c1-24(10-17-21-13-5-2-3-7-15(13)28-17)9-16-22-19(25)18-12(11-27-20(18)23-16)14-6-4-8-26-14/h2-8,11H,9-10H2,1H3,(H,22,23,25)/p+1