2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H19N5O5S2 MolecularWeight: 449.50396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H19N5O5S2/c1-12-2-3-13(23(25)26)10-15(12)30(27,28)22-7-5-21(6-8-22)11-16-19-14-4-9-29-17(14)18(24)20-16/h2-4,9-10H,5-8,11H2,1H3,(H,19,20,24)