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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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