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

Systemtic Name: 1-adamantyl-[[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC5=C(C(=CS5)C6=CC=CO6)C(=O)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC5=C(C(=CS5)C6=CC=CO6)C(=O)N4

InChI

InChI=1S/C21H23N3O2S/c25-19-18-15(16-2-1-3-26-16)11-27-20(18)24-17(23-19)10-22-21-7-12-4-13(8-21)6-14(5-12)9-21/h1-3,11-14,22H,4-10H2,(H,23,24,25)/p+1