3-(2-fluorophenyl)-6-imidazol-1-ylsulfonyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-fluorophenyl)-6-imidazol-1-ylsulfonyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-fluorophenyl)-6-imidazol-1-ylsulfonyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-fluorophenyl)-6-(1-imidazolylsulfonyl)-2-[(4-methyl-1-piperazinyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-fluorophenyl)-6-imidazol-1-ylsulfonyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-fluorophenyl)-6-imidazol-1-ylsulfonyl-2-[(4-methylpiperazino)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H21FN6O3S2 MolecularWeight: 488.558243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(C=C(S3)S(=O)(=O)N4C=CN=C4)C(=O)N2C5=CC=CC=C5F

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C=C(S3)S(=O)(=O)N4C=CN=C4)C(=O)N2C5=CC=CC=C5F

InChI

InChI=1S/C21H21FN6O3S2/c1-25-8-10-26(11-9-25)13-18-24-20-15(21(29)28(18)17-5-3-2-4-16(17)22)12-19(32-20)33(30,31)27-7-6-23-14-27/h2-7,12,14H,8-11,13H2,1H3