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

Systemtic Name: 5,6-dimethyl-2-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(3-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H21N6O3S+ MolecularWeight: 401.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N6O3S/c1-11-12(2)28-18-15(11)17(25)20-14(21-18)10-22-6-8-23(9-7-22)16-13(24(26)27)4-3-5-19-16/h3-5H,6-10H2,1-2H3,(H,20,21,25)/p+1