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

Systemtic Name: 2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole Openeye Name: 2-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]methylsulfinyl]-1H-thieno[3,4-d]imidazole CAS Name: 2-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole IUPAC Name: 2-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole Traditional Name: 2-[(5-nitro-6-piperidino-pyrimidin-4-yl)methylsulfinyl]-1H-thien[3,4-d]imidazole Formula: C15H16N6O3S2 MolecularWeight: 392.45594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])CS(=O)C3=NC4=CSC=C4N3

Isomeric SMILES

C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])CS(=O)C3=NC4=CSC=C4N3

InChI

InChI=1S/C15H16N6O3S2/c22-21(23)13-12(16-9-17-14(13)20-4-2-1-3-5-20)8-26(24)15-18-10-6-25-7-11(10)19-15/h6-7,9H,1-5,8H2,(H,18,19)