2-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole

Systemtic Name: 2-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole Openeye Name: 2-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole CAS Name: 2-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole IUPAC Name: 2-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole Traditional Name: 2-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)methylsulfinyl]-1H-thien[3,4-d]imidazole Formula: C14H14N6O3S2 MolecularWeight: 378.42936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC(=C2[N+](=O)[O-])CS(=O)C3=NC4=CSC=C4N3

Isomeric SMILES

C1CCN(C1)C2=NC=NC(=C2[N+](=O)[O-])CS(=O)C3=NC4=CSC=C4N3

InChI

InChI=1S/C14H14N6O3S2/c21-20(22)12-11(15-8-16-13(12)19-3-1-2-4-19)7-25(23)14-17-9-5-24-6-10(9)18-14/h5-6,8H,1-4,7H2,(H,17,18)