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

Systemtic Name: 5,6-dimethyl-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H21N7O3S MolecularWeight: 403.45874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N7O3S/c1-10-11(2)28-16-13(10)15(25)19-12(20-16)8-22-4-6-23(7-5-22)17-14(24(26)27)18-9-21(17)3/h9H,4-8H2,1-3H3,(H,19,20,25)