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

Systemtic Name: 5,6-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(4-nosylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O5S2/c1-12-13(2)30-19-17(12)18(25)20-16(21-19)11-22-7-9-23(10-8-22)31(28,29)15-5-3-14(4-6-15)24(26)27/h3-6H,7-11H2,1-2H3,(H,20,21,25)