2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C20H24N6O5S2 MolecularWeight: 492.57176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C20H24N6O5S2/c1-2-3-8-25-14-7-6-12(33(22,30)31)9-13(14)23-20(25)32-10-15(27)16-17(21)26(11-4-5-11)19(29)24-18(16)28/h6-7,9,11H,2-5,8,10,21H2,1H3,(H2,22,30,31)(H,24,28,29)