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

Systemtic Name: 6-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]thieno[2,3-d]pyrimidin-4-one Formula: C20H23N5O6S2 MolecularWeight: 493.55652

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O6S2/c1-3-14-10-16-19(32-14)21-12-23(20(16)26)13-22-6-8-24(9-7-22)33(29,30)15-4-5-18(31-2)17(11-15)25(27)28/h4-5,10-12H,3,6-9,13H2,1-2H3