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

Systemtic Name: 5,6-dimethyl-2-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(5-nitro-2-pyridyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(5-nitro-2-pyridinyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(5-nitro-2-pyridyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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