[5-[4-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butylcarbamoyl]pyridin-3-yl]astatine

Systemtic Name: [5-[4-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butylcarbamoyl]pyridin-3-yl]astatine Openeye Name: [5-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butylcarbamoyl]-3-pyridyl]astatine CAS Name: [5-[oxo-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butylamino]methyl]-3-pyridinyl]astatine IUPAC Name: [5-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butylcarbamoyl]pyridin-3-yl]astatine Traditional Name: [5-[4-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)butylcarbamoyl]-3-pyridyl]astatine Formula: C15H19AtN4O2S MolecularWeight: 529.389091

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCNC(=O)C3=CC(=CN=C3)[At])NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)CCCCNC(=O)C3=CC(=CN=C3)[At])NC(=O)N2

InChI

InChI=1S/C15H19AtN4O2S/c16-10-5-9(6-17-7-10)14(21)18-4-2-1-3-12-13-11(8-23-12)19-15(22)20-13/h5-7,11-13H,1-4,8H2,(H,18,21)(H2,19,20,22)