5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(4-nitro-1-imidazolyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=C(N=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=C(N=C3)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N5O3S/c1-6-7(2)21-12-10(6)11(18)14-8(15-12)3-16-4-9(13-5-16)17(19)20/h4-5H,3H2,1-2H3,(H,14,15,18)