5,6-dimethyl-2-[(3-methyl-5-nitro-imidazol-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(3-methyl-5-nitro-imidazol-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(3-methyl-5-nitro-imidazol-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(3-methyl-5-nitro-4-imidazolyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(3-methyl-5-nitroimidazol-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(3-methyl-5-nitro-imidazol-4-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(N=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(N=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N5O3S2/c1-6-7(2)23-12-9(6)11(19)15-8(16-12)4-22-13-10(18(20)21)14-5-17(13)3/h5H,4H2,1-3H3,(H,15,16,19)