6-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C20H22N6O3S3+2 MolecularWeight: 490.62208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=[NH+]C=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=[NH+]C=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C20H20N6O3S3/c21-32(28,29)13-3-4-17(22-10-13)26-7-5-25(6-8-26)11-16-23-19(27)18-14(12-31-20(18)24-16)15-2-1-9-30-15/h1-4,9-10,12H,5-8,11H2,(H2,21,28,29)(H,23,24,27)/p+2